2-[4-[5,6-bis(chloranyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5,6-bis(chloranyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(5,6-dichloropyridine-3-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5,6-dichloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(5,6-dichloropyridine-3-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(5,6-dichloronicotinoyl)piperazino]acetic acid Formula: C12H13Cl2N3O3 MolecularWeight: 318.15592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=C(N=C2)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=C(N=C2)Cl)Cl

InChI

InChI=1S/C12H13Cl2N3O3/c13-9-5-8(6-15-11(9)14)12(20)17-3-1-16(2-4-17)7-10(18)19/h5-6H,1-4,7H2,(H,18,19)