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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-chloro-5-nitro-benzyl)nipecotic acid Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C13H15ClN2O4/c14-12-4-3-11(16(19)20)6-10(12)8-15-5-1-2-9(7-15)13(17)18/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)