(3S)-1-(2-chloranyl-6-nitro-phenyl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(2-chloranyl-6-nitro-phenyl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(2-chloro-6-nitro-phenyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(2-chloro-6-nitrophenyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(2-chloro-6-nitrophenyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-chloro-6-nitro-phenyl)nipecotic acid Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13ClN2O4/c13-9-4-1-5-10(15(18)19)11(9)14-6-2-3-8(7-14)12(16)17/h1,4-5,8H,2-3,6-7H2,(H,16,17)/t8-/m0/s1