[4,5-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-3-oxidanylidene-cyclohexen-1-yl] carbonochloridate

Systemtic Name: [4,5-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-3-oxidanylidene-cyclohexen-1-yl] carbonochloridate Openeye Name: [4,5-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-3-oxo-cyclohexen-1-yl] carbonochloridate CAS Name: carbonochloridic acid [4,5-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [4,5-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-3-oxocyclohexen-1-yl] carbonochloridate Traditional Name: chlorocarbonic acid [3-keto-4,5-dimethyl-2-[4-nitro-2-(trifluoromethyl)phenyl]cyclohexen-1-yl] ester Formula: C16H13ClF3NO5 MolecularWeight: 391.72633

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C(=O)C1C)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)OC(=O)Cl

Isomeric SMILES

CC1CC(=C(C(=O)C1C)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)OC(=O)Cl

InChI

InChI=1S/C16H13ClF3NO5/c1-7-5-12(26-15(17)23)13(14(22)8(7)2)10-4-3-9(21(24)25)6-11(10)16(18,19)20/h3-4,6-8H,5H2,1-2H3