[2-(2-chloranyl-6-methoxy-4-nitro-phenyl)-4-(2-cyanoethyl)-3-oxidanylidene-cyclohexen-1-yl] pentanoate

Systemtic Name: [2-(2-chloranyl-6-methoxy-4-nitro-phenyl)-4-(2-cyanoethyl)-3-oxidanylidene-cyclohexen-1-yl] pentanoate Openeye Name: [2-(2-chloro-6-methoxy-4-nitro-phenyl)-4-(2-cyanoethyl)-3-oxo-cyclohexen-1-yl] pentanoate CAS Name: pentanoic acid [2-(2-chloro-6-methoxy-4-nitrophenyl)-4-(2-cyanoethyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chloro-6-methoxy-4-nitrophenyl)-4-(2-cyanoethyl)-3-oxocyclohexen-1-yl] pentanoate Traditional Name: valeric acid [2-(2-chloro-6-methoxy-4-nitro-phenyl)-4-(2-cyanoethyl)-3-keto-cyclohexen-1-yl] ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=O)C(CC1)CCC#N)C2=C(C=C(C=C2Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)OC1=C(C(=O)C(CC1)CCC#N)C2=C(C=C(C=C2Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23ClN2O6/c1-3-4-7-18(25)30-16-9-8-13(6-5-10-23)21(26)20(16)19-15(22)11-14(24(27)28)12-17(19)29-2/h11-13H,3-9H2,1-2H3