[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C21H19N3O4/c1-14(20(26)23-17-9-7-15(13-22)8-10-17)28-21(27)16-4-2-5-18(12-16)24-11-3-6-19(24)25/h2,4-5,7-10,12,14H,3,6,11H2,1H3,(H,23,26)