4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-cyanoethyl)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-cyanoethyl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(2-cyanoethyl)-4-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanoic acid CAS Name: 2-(2-cyanoethyl)-4-(1,3-dioxo-2-isoindolyl)-3-oxobutanoic acid IUPAC Name: 2-(2-cyanoethyl)-4-(1,3-dioxoisoindol-2-yl)-3-oxobutanoic acid Traditional Name: 2-(2-cyanoethyl)-3-keto-4-phthalimido-butyric acid Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)C(CCC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)C(CCC#N)C(=O)O

InChI

InChI=1S/C15H12N2O5/c16-7-3-6-11(15(21)22)12(18)8-17-13(19)9-4-1-2-5-10(9)14(17)20/h1-2,4-5,11H,3,6,8H2,(H,21,22)