[4-[(4-ethanoylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-ethanoylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-acetylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-acetylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-acetylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-acetylphenyl)carbamoyl]phenyl] ester Formula: C21H16N2O7S MolecularWeight: 440.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7S/c1-14(24)15-5-9-17(10-6-15)22-21(25)16-7-11-19(12-8-16)30-31(28,29)20-4-2-3-18(13-20)23(26)27/h2-13H,1H3,(H,22,25)