[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C24H28N2O7 MolecularWeight: 456.48832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC)[N+](=O)[O-])C

InChI

InChI=1S/C24H28N2O7/c1-15-9-16(2)13-25(12-15)20-8-5-17(10-21(20)26(29)30)24(28)33-14-22(27)19-7-6-18(31-3)11-23(19)32-4/h5-8,10-11,15-16H,9,12-14H2,1-4H3