1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-chloro-5-nitro-benzyl)isonipecotic acid Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O4/c14-12-2-1-11(16(19)20)7-10(12)8-15-5-3-9(4-6-15)13(17)18/h1-2,7,9H,3-6,8H2,(H,17,18)