[2-(2-chloranyl-6-methoxy-4-nitro-phenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate

Systemtic Name: [2-(2-chloranyl-6-methoxy-4-nitro-phenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [2-(2-chloro-6-methoxy-4-nitro-phenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2-chloro-6-methoxy-4-nitrophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chloro-6-methoxy-4-nitrophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2-chloro-6-methoxy-4-nitro-phenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H30ClNO6 MolecularWeight: 451.9404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C=C(C=C2Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C=C(C=C2Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C23H30ClNO6/c1-6-8-9-14(7-2)22(27)31-19-13-23(3,4)12-17(26)21(19)20-16(24)10-15(25(28)29)11-18(20)30-5/h10-11,14H,6-9,12-13H2,1-5H3