(3S)-1-(2-nitrophenyl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2-nitrophenyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-nitrophenyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(2-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-nitrophenyl)nipecotic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O4/c15-12(16)9-4-3-7-13(8-9)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,16)/t9-/m0/s1