[3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C18H14F3N3O4 MolecularWeight: 393.31667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N3O4/c1-11-5-7-12(8-6-11)15-10-17(26,18(19,20)21)23(22-15)16(25)13-3-2-4-14(9-13)24(27)28/h2-9,26H,10H2,1H3