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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO5/c1-3-7(2)11(14(18)19)16-13(17)8-4-9(15)12-10(5-8)20-6-21-12/h4-5,7,11H,3,6H2,1-2H3,(H,16,17)(H,18,19)