(5-chloranyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl) 4-methylpentanoate

Systemtic Name: (5-chloranyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl) 4-methylpentanoate Openeye Name: (5-chloro-3-oxo-isoindolin-1-yl) 4-methylpentanoate CAS Name: 4-methylpentanoic acid (5-chloro-3-oxo-1,2-dihydroisoindol-1-yl) ester IUPAC Name: (5-chloro-3-oxo-1,2-dihydroisoindol-1-yl) 4-methylpentanoate Traditional Name: 4-methylvaleric acid (5-chloro-3-keto-isoindolin-1-yl) ester Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OC1C2=C(C=C(C=C2)Cl)C(=O)N1

Isomeric SMILES

CC(C)CCC(=O)OC1C2=C(C=C(C=C2)Cl)C(=O)N1

InChI

InChI=1S/C14H16ClNO3/c1-8(2)3-6-12(17)19-14-10-5-4-9(15)7-11(10)13(18)16-14/h4-5,7-8,14H,3,6H2,1-2H3,(H,16,18)