1-[(2-methoxy-5-nitro-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-methoxy-5-nitro-benzyl)nipecotic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCC(C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H18N2O5/c1-21-13-5-4-12(16(19)20)7-11(13)9-15-6-2-3-10(8-15)14(17)18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,18)