[[4-(phenylsulfonyldiazenyl)phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-(phenylsulfonyldiazenyl)phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(benzenesulfonylazo)anilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(benzenesulfonylazo)anilino] ester IUPAC Name: [4-(benzenesulfonyldiazenyl)anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-besylazoanilino) ester Formula: C19H14N4O6S MolecularWeight: 426.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O6S/c24-19(14-5-4-6-17(13-14)23(25)26)29-21-16-11-9-15(10-12-16)20-22-30(27,28)18-7-2-1-3-8-18/h1-13,21H