[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] quinoline-6-carboxylate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] quinoline-6-carboxylate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] quinoline-6-carboxylate CAS Name: 6-quinolinecarboxylic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] quinoline-6-carboxylate Traditional Name: quinoline-6-carboxylic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H16N2O5S/c25-18-7-3-8-19(21(18)30-20-9-2-1-6-17(20)24(27)28)29-22(26)15-10-11-16-14(13-15)5-4-12-23-16/h1-2,4-6,9-13H,3,7-8H2