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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C22H25N3O7/c1-30-16-7-9-20(31-2)18(13-16)23-21(26)14-32-22(27)17-12-15(25(28)29)6-8-19(17)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,26)