[(4R)-2-(4-cyanophenyl)carbonyl-4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl ethanoate

Systemtic Name: [(4R)-2-(4-cyanophenyl)carbonyl-4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl ethanoate Openeye Name: [(4R)-2-(4-cyanobenzoyl)-4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl]methyl acetate CAS Name: acetic acid [(4R)-2-[(4-cyanophenyl)-oxomethyl]-4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [(4R)-2-(4-cyanobenzoyl)-4-methyl-3-oxo-1-phenylpyrazolidin-4-yl]methyl acetate Traditional Name: acetic acid [(4R)-2-(4-cyanobenzoyl)-3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl]methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)OC[C@]1(CN(N(C1=O)C(=O)C2=CC=C(C=C2)C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O4/c1-15(25)28-14-21(2)13-23(18-6-4-3-5-7-18)24(20(21)27)19(26)17-10-8-16(12-22)9-11-17/h3-11H,13-14H2,1-2H3/t21-/m1/s1