[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C17H21N3O8 MolecularWeight: 395.36394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21N3O8/c1-26-13-7-11(12(20(24)25)8-14(13)27-2)17(23)28-9-15(21)19-5-3-10(4-6-19)16(18)22/h7-8,10H,3-6,9H2,1-2H3,(H2,18,22)