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

Systemtic Name: [4,5-dimethyl-2-(2-methyl-4-nitro-phenyl)-3-oxidanylidene-cyclohexen-1-yl] carbonochloridate Openeye Name: [4,5-dimethyl-2-(2-methyl-4-nitro-phenyl)-3-oxo-cyclohexen-1-yl] carbonochloridate CAS Name: carbonochloridic acid [4,5-dimethyl-2-(2-methyl-4-nitrophenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [4,5-dimethyl-2-(2-methyl-4-nitrophenyl)-3-oxocyclohexen-1-yl] carbonochloridate Traditional Name: chlorocarbonic acid [3-keto-4,5-dimethyl-2-(2-methyl-4-nitro-phenyl)cyclohexen-1-yl] ester Formula: C16H16ClNO5 MolecularWeight: 337.75494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO5/c1-8-7-13(23-16(17)20)14(15(19)10(8)3)12-5-4-11(18(21)22)6-9(12)2/h4-6,8,10H,7H2,1-3H3