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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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