[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4/c17-12-5-4-11(9-13(12)20-8-1-3-15(20)22)16(23)24-10-14(21)19-7-2-6-18/h4-5,9H,1-3,7-8,10H2,(H,19,21)