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

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-chloro-4-nitro-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(2-chloro-4-nitrophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-4-nitrobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-chloro-4-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)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

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

InChI

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