[[4-[(4-methylphenyl)sulfonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-[(4-methylphenyl)sulfonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(p-tolylsulfonylazo)anilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(4-methylphenyl)sulfonylazoanilino] ester IUPAC Name: [4-[(4-methylphenyl)sulfonyldiazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-tosylazoanilino) ester Formula: C20H15N5O8S MolecularWeight: 485.4268

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O8S/c1-13-2-8-19(9-3-13)34(31,32)23-21-15-4-6-16(7-5-15)22-33-20(26)14-10-17(24(27)28)12-18(11-14)25(29)30/h2-12,22H,1H3