phenyl 3-nitro-4-oxidanylidene-4-phenylazanyl-butane-1-sulfonate

Systemtic Name: phenyl 3-nitro-4-oxidanylidene-4-phenylazanyl-butane-1-sulfonate Openeye Name: phenyl 4-anilino-3-nitro-4-oxo-butane-1-sulfonate CAS Name: 4-anilino-3-nitro-4-oxo-1-butanesulfonic acid IUPAC Name: phenyl 4-anilino-3-nitro-4-oxobutane-1-sulfonate Traditional Name: 4-anilino-4-keto-3-nitro-butane-1-sulfonic acid phenyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c19-16(17-13-7-3-1-4-8-13)15(18(20)21)11-12-25(22,23)24-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,19)