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

Systemtic Name: (3-methylphenyl)-[3-(3-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: [5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(m-tolyl)methanone CAS Name: [5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone IUPAC Name: [5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone Traditional Name: [5-hydroxy-3-(3-nitrophenyl)-5-(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)C3=CC(=CC=C3)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

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

InChI

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