[[4-[(4-nitrophenyl)carbonyldiazenyl]phenyl]amino] 3-methylbenzoate

Systemtic Name: [[4-[(4-nitrophenyl)carbonyldiazenyl]phenyl]amino] 3-methylbenzoate Openeye Name: [4-(4-nitrobenzoyl)azoanilino] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(4-nitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(4-nitrobenzoyl)diazenyl]anilino] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(4-nitrobenzoyl)azoanilino] ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5/c1-14-3-2-4-16(13-14)21(27)30-24-18-9-7-17(8-10-18)22-23-20(26)15-5-11-19(12-6-15)25(28)29/h2-13,24H,1H3