1-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methoxy-5-nitrophenyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-methoxy-5-nitro-phenyl)isonipecotic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-20-12-3-2-10(15(18)19)8-11(12)14-6-4-9(5-7-14)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)