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

Systemtic Name: (3S)-1-(2-cyano-4-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-cyano-4-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(2-cyano-4-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-cyano-4-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-cyano-4-nitro-phenyl)nipecotic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c14-7-10-6-11(16(19)20)3-4-12(10)15-5-1-2-9(8-15)13(17)18/h3-4,6,9H,1-2,5,8H2,(H,17,18)/t9-/m0/s1