(3S)-1-(4-methoxy-2-nitro-phenyl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-methoxy-2-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-methoxy-2-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(4-methoxy-2-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-methoxy-2-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-methoxy-2-nitro-phenyl)nipecotic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCC[C@@H](C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-20-10-4-5-11(12(7-10)15(18)19)14-6-2-3-9(8-14)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/t9-/m0/s1