(3-nitro-4-oxidanylidene-4-phenylazanyl-butyl) benzenesulfonate

Systemtic Name: (3-nitro-4-oxidanylidene-4-phenylazanyl-butyl) benzenesulfonate Openeye Name: (4-anilino-3-nitro-4-oxo-butyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-anilino-3-nitro-4-oxobutyl) ester IUPAC Name: (4-anilino-3-nitro-4-oxobutyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-anilino-4-keto-3-nitro-butyl) ester Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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