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

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2,4-dimethoxyanilino)-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-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C24H29N3O7 MolecularWeight: 471.50296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=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)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-])C

InChI

InChI=1S/C24H29N3O7/c1-15-9-16(2)13-26(12-15)20-8-5-17(10-21(20)27(30)31)24(29)34-14-23(28)25-19-7-6-18(32-3)11-22(19)33-4/h5-8,10-11,15-16H,9,12-14H2,1-4H3,(H,25,28)