[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-16-18-10-5-6-11-19(18)22(28)25(16)14-21(27)29-15-20(26)24(13-7-12-23)17-8-3-2-4-9-17/h2-6,8-11H,1,7,13-15H2