1-(4-chloranyl-2-nitro-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-chloro-2-nitro-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-chloro-2-nitrophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-2-nitrobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-chloro-2-nitro-benzoyl)nipecotic acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O5/c14-9-3-4-10(11(6-9)16(20)21)12(17)15-5-1-2-8(7-15)13(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)