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

Systemtic Name: [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]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [5,5-dimethyl-3-oxo-2-[(1Z)-1-prop-2-enoxyiminopropyl]-1-cyclohexenyl] ester IUPAC Name: [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]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-5-12-25-22-16(6-2)19-17(23)13-21(3,4)14-18(19)26-20(24)15-10-8-7-9-11-15/h5,7-11H,1,6,12-14H2,2-4H3/b22-16-