[4-(cyclopropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(cyclopropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(cyclopropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(cyclopropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(cyclopropylcarbamoyl)phenyl] ester Formula: C16H14N2O6S MolecularWeight: 362.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6S/c19-16(17-12-6-7-12)11-4-8-14(9-5-11)24-25(22,23)15-3-1-2-13(10-15)18(20)21/h1-5,8-10,12H,6-7H2,(H,17,19)