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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

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