methyl 2-benzamido-3,3,3-tris(fluoranyl)-2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanoate

Systemtic Name: methyl 2-benzamido-3,3,3-tris(fluoranyl)-2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanoate Openeye Name: methyl 2-benzamido-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate CAS Name: 2-benzamido-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoic acid methyl ester IUPAC Name: methyl 2-benzamido-3,3,3-trifluoro-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate Traditional Name: 2-benzamido-3,3,3-trifluoro-2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)propionic acid methyl ester Formula: C21H18F3N3O4 MolecularWeight: 433.38053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18F3N3O4/c1-13-16(18(29)27(26-13)15-11-7-4-8-12-15)20(19(30)31-2,21(22,23)24)25-17(28)14-9-5-3-6-10-14/h3-12,26H,1-2H3,(H,25,28)