ethyl 3-(4-chloranyl-2-nitro-phenyl)carbonyl-6-(2-ethylsulfanylpropyl)-2,4-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: ethyl 3-(4-chloranyl-2-nitro-phenyl)carbonyl-6-(2-ethylsulfanylpropyl)-2,4-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: ethyl 3-(4-chloro-2-nitro-benzoyl)-6-(2-ethylsulfanylpropyl)-2,4-dioxo-cyclohexanecarboxylate CAS Name: 3-[(4-chloro-2-nitrophenyl)-oxomethyl]-6-[2-(ethylthio)propyl]-2,4-dioxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chloro-2-nitrobenzoyl)-6-(2-ethylsulfanylpropyl)-2,4-dioxocyclohexane-1-carboxylate Traditional Name: 3-(4-chloro-2-nitro-benzoyl)-6-[2-(ethylthio)propyl]-2,4-diketo-cyclohexanecarboxylic acid ethyl ester Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC(C)SCC

Isomeric SMILES

CCOC(=O)C1C(CC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC(C)SCC

InChI

InChI=1S/C21H24ClNO7S/c1-4-30-21(27)17-12(8-11(3)31-5-2)9-16(24)18(20(17)26)19(25)14-7-6-13(22)10-15(14)23(28)29/h6-7,10-12,17-18H,4-5,8-9H2,1-3H3