2-[4-ethyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanedioic acid

Systemtic Name: 2-[4-ethyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanedioic acid Openeye Name: 2-(4-ethyl-1,3-dioxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(4-ethyl-1,3-dioxo-2-isoindolyl)butanedioic acid IUPAC Name: 2-(4-ethyl-1,3-dioxoisoindol-2-yl)butanedioic acid Traditional Name: 2-(4-ethyl-1,3-diketo-isoindolin-2-yl)succinic acid Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=O)N(C2=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1C(=O)N(C2=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO6/c1-2-7-4-3-5-8-11(7)13(19)15(12(8)18)9(14(20)21)6-10(16)17/h3-5,9H,2,6H2,1H3,(H,16,17)(H,20,21)