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

Systemtic Name: [4-(phenylcarbamoyl)phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(phenylcarbamoyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-[anilino(oxo)methyl]phenyl] ester IUPAC Name: [4-(phenylcarbamoyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-(phenylcarbamoyl)phenyl] ester Formula: C21H15N3O7 MolecularWeight: 421.3597

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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=CC=C3)[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=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O7/c1-13-18(23(27)28)11-15(12-19(13)24(29)30)21(26)31-17-9-7-14(8-10-17)20(25)22-16-5-3-2-4-6-16/h2-12H,1H3,(H,22,25)