2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15NO4/c1-8(2)5-6-15-12(16)10-4-3-9(14(18)19)7-11(10)13(15)17/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)