[[4-[(3-methylphenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-[(3-methylphenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(3-methylbenzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(3-methylphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3-methylbenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-m-toluoylazoanilino) ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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