2-[4-[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(4,5-dichloro-1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)piperazino]acetic acid Formula: C12H15Cl2N3O3 MolecularWeight: 320.1718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1Cl)Cl)C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

CN1C(=CC(=C1Cl)Cl)C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C12H15Cl2N3O3/c1-15-9(6-8(13)11(15)14)12(20)17-4-2-16(3-5-17)7-10(18)19/h6H,2-5,7H2,1H3,(H,18,19)