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

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]butanoic acid Openeye Name: 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoic acid CAS Name: 3-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoic acid Traditional Name: 3-[(7-chloropiperonyloyl)amino]butyric acid Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO5/c1-6(2-10(15)16)14-12(17)7-3-8(13)11-9(4-7)18-5-19-11/h3-4,6H,2,5H2,1H3,(H,14,17)(H,15,16)