[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C23H19N3O7 MolecularWeight: 449.41286

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H19N3O7/c1-13-4-5-14(2)19(10-13)24-22(27)16-6-8-18(9-7-16)33-23(28)17-11-20(25(29)30)15(3)21(12-17)26(31)32/h4-12H,1-3H3,(H,24,27)