[2-(2-chloranyl-4-nitro-phenyl)-5,6-diethyl-3-oxidanylidene-cyclohexen-1-yl] 2-nitroethanoate

Systemtic Name: [2-(2-chloranyl-4-nitro-phenyl)-5,6-diethyl-3-oxidanylidene-cyclohexen-1-yl] 2-nitroethanoate Openeye Name: [2-(2-chloro-4-nitro-phenyl)-5,6-diethyl-3-oxo-cyclohexen-1-yl] 2-nitroacetate CAS Name: 2-nitroacetic acid [2-(2-chloro-4-nitrophenyl)-5,6-diethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chloro-4-nitrophenyl)-5,6-diethyl-3-oxocyclohexen-1-yl] 2-nitroacetate Traditional Name: 2-nitroacetic acid [2-(2-chloro-4-nitro-phenyl)-5,6-diethyl-3-keto-cyclohexen-1-yl] ester Formula: C18H19ClN2O7 MolecularWeight: 410.80566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C(=C(C1CC)OC(=O)C[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1CC(=O)C(=C(C1CC)OC(=O)C[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN2O7/c1-3-10-7-15(22)17(13-6-5-11(21(26)27)8-14(13)19)18(12(10)4-2)28-16(23)9-20(24)25/h5-6,8,10,12H,3-4,7,9H2,1-2H3