[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClN3O4/c23-17-9-8-16(13-19(17)25-11-4-7-20(25)27)22(29)30-14-21(28)26-12-10-18(24-26)15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2