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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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