[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[(4-chloroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-[(4-chlorophenyl)carbamoyl]phenyl] ester Formula: C21H14ClN3O7 MolecularWeight: 455.80476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O7/c1-12-18(24(28)29)10-14(11-19(12)25(30)31)21(27)32-17-8-2-13(3-9-17)20(26)23-16-6-4-15(22)5-7-16/h2-11H,1H3,(H,23,26)