[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O4/c22-17-9-8-15(13-18(17)25-11-4-7-19(25)26)21(28)29-14-20(27)24(12-10-23)16-5-2-1-3-6-16/h1-3,5-6,8-9,13H,4,7,11-12,14H2