[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O5/c1-23-19(26)16-9-8-14(12-17(16)20(23)27)21(28)29-13-18(25)24(11-5-10-22)15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13H2,1H3