2-(4-Methylphenyl)-2-oxoethyl 3-[(2,4-dinitrobenzoyl)amino]benzoate
C23H17N3O8
329932-55-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  34 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.6684 4.6201 0.0 0
M  V30 2 N 8.0021 3.8500 0.0 0
M  V30 3 O 6.6684 6.1601 0.0 0
M  V30 4 N 4.0011 6.1601 0.0 0 VAL=5
M  V30 5 O 2.6673 6.9301 0.0 0
M  V30 6 O 5.3348 6.9301 0.0 0
M  V30 7 N 1.3337 1.5400 0.0 0 VAL=5
M  V30 8 O 0.0000 2.3100 0.0 0
M  V30 9 O 1.3337 0.0000 0.0 0
M  V30 10 C 13.3369 3.8500 0.0 0
M  V30 11 O 14.6707 4.6201 0.0 0
M  V30 12 O 13.3369 2.3100 0.0 0
M  V30 13 C 16.0043 3.8500 0.0 0
M  V30 14 C 17.3380 4.6201 0.0 0
M  V30 15 O 17.3380 6.1601 0.0 0
M  V30 16 C 22.6727 1.5400 0.0 0
M  V30 17 C 5.3348 3.8500 0.0 0
M  V30 18 C 4.0011 4.6201 0.0 0
M  V30 19 C 5.3348 2.3100 0.0 0
M  V30 20 C 2.6673 3.8500 0.0 0
M  V30 21 C 4.0011 1.5400 0.0 0
M  V30 22 C 2.6673 2.3100 0.0 0
M  V30 23 C 9.3359 4.6201 0.0 0
M  V30 24 C 10.6695 3.8500 0.0 0
M  V30 25 C 9.3359 6.1601 0.0 0
M  V30 26 C 12.0032 4.6201 0.0 0
M  V30 27 C 10.6695 6.9301 0.0 0
M  V30 28 C 12.0032 6.1601 0.0 0
M  V30 29 C 18.6716 3.8500 0.0 0
M  V30 30 C 18.6716 2.3100 0.0 0
M  V30 31 C 20.0054 4.6201 0.0 0
M  V30 32 C 20.0054 1.5400 0.0 0
M  V30 33 C 21.3391 3.8500 0.0 0
M  V30 34 C 21.3391 2.3100 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 17
M  V30 4 1 2 23
M  V30 5 2 4 5
M  V30 6 2 4 6
M  V30 7 1 4 18
M  V30 8 2 7 8
M  V30 9 2 7 9
M  V30 10 1 7 22
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 1 10 26
M  V30 14 1 11 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 14 29
M  V30 18 1 16 34
M  V30 19 2 17 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 2 19 21
M  V30 23 2 20 22
M  V30 24 1 21 22
M  V30 25 2 23 24
M  V30 26 1 23 25
M  V30 27 1 24 26
M  V30 28 2 25 27
M  V30 29 2 26 28
M  V30 30 1 27 28
M  V30 31 2 29 30
M  V30 32 1 29 31
M  V30 33 1 30 32
M  V30 34 2 31 33
M  V30 35 2 32 34
M  V30 36 1 33 34
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
329932-55-0

> <cas.index.name>
Benzoic acid, 3-[(2,4-dinitrobenzoyl)amino]-, 2-(4-methylphenyl)-2-oxoethyl ester

> <molecular.formula>
C23H17N3O8

> <molecular.weight>
463.40

> <boiling.point.predicted>
635.9±55.0 °C    Press: 760 Torr

> <density.predicted>
1.438±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.59±0.70    Most Acidic Temp: 25 °C

$$$$
