1-[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4,5-dichloro-1-methyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)nipecotic acid Formula: C12H14Cl2N2O3 MolecularWeight: 305.15716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1Cl)Cl)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CN1C(=CC(=C1Cl)Cl)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C12H14Cl2N2O3/c1-15-9(5-8(13)10(15)14)11(17)16-4-2-3-7(6-16)12(18)19/h5,7H,2-4,6H2,1H3,(H,18,19)