[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4-chloranylbutanoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 4-chloranylbutanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C16H16ClNO5S MolecularWeight: 369.81994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCCCl

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CCCCl

InChI

InChI=1S/C16H16ClNO5S/c17-10-4-9-15(20)23-13-7-3-6-12(19)16(13)24-14-8-2-1-5-11(14)18(21)22/h1-2,5,8H,3-4,6-7,9-10H2