[6-(3-chlorophenyl)-2-[(Z)-C-ethyl-N-prop-2-enoxy-carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] benzoate

Systemtic Name: [6-(3-chlorophenyl)-2-[(Z)-C-ethyl-N-prop-2-enoxy-carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [2-[(Z)-N-allyloxy-C-ethyl-carbonimidoyl]-6-(3-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [6-(3-chlorophenyl)-5,5-dimethyl-3-oxo-2-[(1Z)-1-prop-2-enoxyiminopropyl]-1-cyclohexenyl] ester IUPAC Name: [6-(3-chlorophenyl)-2-[(Z)-C-ethyl-N-prop-2-enoxycarbonimidoyl]-5,5-dimethyl-3-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-[(Z)-N-allyloxy-C-ethyl-carbonimidoyl]-6-(3-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C27H28ClNO4 MolecularWeight: 465.96852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCC=C)C1=C(C(C(CC1=O)(C)C)C2=CC(=CC=C2)Cl)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC/C(=N/OCC=C)/C1=C(C(C(CC1=O)(C)C)C2=CC(=CC=C2)Cl)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28ClNO4/c1-5-15-32-29-21(6-2)23-22(30)17-27(3,4)24(19-13-10-14-20(28)16-19)25(23)33-26(31)18-11-8-7-9-12-18/h5,7-14,16,24H,1,6,15,17H2,2-4H3/b29-21-