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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H26N2O7/c1-30-20-13-18(19(25(28)29)14-21(20)31-2)23(27)32-15-22(26)24-10-8-17(9-11-24)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3