1-[(4-methoxy-3-nitro-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methoxy-3-nitrophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxy-3-nitrophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(4-methoxy-3-nitro-benzyl)isonipecotic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-21-13-3-2-10(8-12(13)16(19)20)9-15-6-4-11(5-7-15)14(17)18/h2-3,8,11H,4-7,9H2,1H3,(H,17,18)