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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]-3-methyl-butyric acid Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5/c1-6(2)10(13(17)18)15-12(16)7-3-8(14)11-9(4-7)19-5-20-11/h3-4,6,10H,5H2,1-2H3,(H,15,16)(H,17,18)