2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]-3-hydroxy-butyric acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCO2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCO2)O

InChI

InChI=1S/C12H12ClNO6/c1-5(15)9(12(17)18)14-11(16)6-2-7(13)10-8(3-6)19-4-20-10/h2-3,5,9,15H,4H2,1H3,(H,14,16)(H,17,18)