(2-methylphenyl) 3-[(2-nitrophenyl)carbamoyl]benzenesulfonate

Systemtic Name: (2-methylphenyl) 3-[(2-nitrophenyl)carbamoyl]benzenesulfonate Openeye Name: o-tolyl 3-[(2-nitrophenyl)carbamoyl]benzenesulfonate CAS Name: 3-[(2-nitroanilino)-oxomethyl]benzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-[(2-nitrophenyl)carbamoyl]benzenesulfonate Traditional Name: 3-[(2-nitrophenyl)carbamoyl]benzenesulfonic acid o-tolyl ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S/c1-14-7-2-5-12-19(14)28-29(26,27)16-9-6-8-15(13-16)20(23)21-17-10-3-4-11-18(17)22(24)25/h2-13H,1H3,(H,21,23)