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

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] cyclopropanecarboxylate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3CC3

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3CC3

InChI

InChI=1S/C16H15NO5S/c18-12-5-3-6-13(22-16(19)10-8-9-10)15(12)23-14-7-2-1-4-11(14)17(20)21/h1-2,4,7,10H,3,5-6,8-9H2