[4-(cyclopropylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-(cyclopropylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(cyclopropylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(cyclopropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(cyclopropylcarbamoyl)phenyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C17H16N2O6S/c1-11-2-7-14(19(21)22)10-16(11)26(23,24)25-15-8-3-12(4-9-15)17(20)18-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H,18,20)