methyl 1-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4,5-dimethoxy-2-nitro-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzoyl)isonipecotic acid methyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-23-13-8-11(12(18(21)22)9-14(13)24-2)15(19)17-6-4-10(5-7-17)16(20)25-3/h8-10H,4-7H2,1-3H3