5-oxidanylidene-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4-dihydropyrazole-4-carboxamide

Systemtic Name: 5-oxidanylidene-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4-dihydropyrazole-4-carboxamide Openeye Name: 5-oxo-N-[(E)-[2-(trifluoromethyl)phenyl]methyleneamino]-1,4-dihydropyrazole-4-carboxamide CAS Name: 5-oxo-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4-dihydropyrazole-4-carboxamide IUPAC Name: 5-oxo-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4-dihydropyrazole-4-carboxamide Traditional Name: 3-keto-N-[(E)-[2-(trifluoromethyl)benzylidene]amino]-2-pyrazoline-4-carboxamide Formula: C12H9F3N4O2 MolecularWeight: 298.22067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)C2C=NNC2=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)C2C=NNC2=O)C(F)(F)F

InChI

InChI=1S/C12H9F3N4O2/c13-12(14,15)9-4-2-1-3-7(9)5-16-18-10(20)8-6-17-19-11(8)21/h1-6,8H,(H,18,20)(H,19,21)/b16-5+