[2-[(Z)-C-ethyl-N-prop-2-enoxy-carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-nitrobenzoate

Systemtic Name: [2-[(Z)-C-ethyl-N-prop-2-enoxy-carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-nitrobenzoate Openeye Name: [2-[(Z)-N-allyloxy-C-ethyl-carbonimidoyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(Z)-N-allyloxy-C-ethyl-carbonimidoyl]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCC=C)C1=C(CC(CC1=O)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC/C(=N/OCC=C)/C1=C(CC(CC1=O)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-5-11-28-22-16(6-2)19-17(24)12-21(3,4)13-18(19)29-20(25)14-7-9-15(10-8-14)23(26)27/h5,7-10H,1,6,11-13H2,2-4H3/b22-16-