6-[[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]hexanoic acid CAS Name: 6-[[(4,5-dichloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]hexanoic acid Traditional Name: 6-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]hexanoic acid Formula: C12H16Cl2N2O3 MolecularWeight: 307.17304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1Cl)Cl)C(=O)NCCCCCC(=O)O

Isomeric SMILES

CN1C(=CC(=C1Cl)Cl)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C12H16Cl2N2O3/c1-16-9(7-8(13)11(16)14)12(19)15-6-4-2-3-5-10(17)18/h7H,2-6H2,1H3,(H,15,19)(H,17,18)