ethyl 1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(4-hydroxy-3-methoxy-5-nitro-benzyl)isonipecotic acid ethyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-3-24-16(20)12-4-6-17(7-5-12)10-11-8-13(18(21)22)15(19)14(9-11)23-2/h8-9,12,19H,3-7,10H2,1-2H3