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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-methyl-pentanoic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-methylpentanoic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]-2-methyl-valeric acid Formula: C14H16ClNO5 MolecularWeight: 313.73354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO5/c1-3-4-14(2,13(18)19)16-12(17)8-5-9(15)11-10(6-8)20-7-21-11/h5-6H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)