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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]butanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]butyric acid Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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