[2-(2-chloranyl-5-nitro-phenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-(dimethylamino)benzoate

Systemtic Name: [2-(2-chloranyl-5-nitro-phenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-(dimethylamino)benzoate Openeye Name: [2-(2-chloro-5-nitro-phenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-(2-chloro-5-nitrophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chloro-5-nitrophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-(2-chloro-5-nitro-phenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C23H23ClN2O5/c1-23(2)12-19(27)21(17-11-16(26(29)30)9-10-18(17)24)20(13-23)31-22(28)14-5-7-15(8-6-14)25(3)4/h5-11H,12-13H2,1-4H3