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

Systemtic Name: [4-[(4-methylphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(p-tolylcarbamoyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-(p-tolylcarbamoyl)phenyl] ester Formula: C22H17N3O7 MolecularWeight: 435.38628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7/c1-13-3-7-17(8-4-13)23-21(26)15-5-9-18(10-6-15)32-22(27)16-11-19(24(28)29)14(2)20(12-16)25(30)31/h3-12H,1-2H3,(H,23,26)