[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-(4-chloranyl-3-nitro-phenyl)ethanoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-(4-chloranyl-3-nitro-phenyl)ethanoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-(4-chloro-3-nitro-phenyl)acetate CAS Name: 2-(4-chloro-3-nitrophenyl)acetic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-(4-chloro-3-nitrophenyl)acetate Traditional Name: 2-(4-chloro-3-nitro-phenyl)acetic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C20H15ClN2O7S MolecularWeight: 462.8603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-])OC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O7S/c21-13-9-8-12(10-15(13)23(28)29)11-19(25)30-17-6-3-5-16(24)20(17)31-18-7-2-1-4-14(18)22(26)27/h1-2,4,7-10H,3,5-6,11H2