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

Systemtic Name: [[4-[(4-methylphenyl)sulfonyldiazenyl]phenyl]amino] 4-nitrobenzoate Openeye Name: [4-(p-tolylsulfonylazo)anilino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(4-methylphenyl)sulfonylazoanilino] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-tosylazoanilino) ester Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O6S/c1-14-2-12-19(13-3-14)31(28,29)23-21-16-6-8-17(9-7-16)22-30-20(25)15-4-10-18(11-5-15)24(26)27/h2-13,22H,1H3