N-(2-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(4-nitrophenyl)-N-(o-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(2-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-methylphenyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-(o-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H13F3N4O3 MolecularWeight: 390.31603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H13F3N4O3/c1-11-4-2-3-5-15(11)23-17(26)14-10-22-24(16(14)18(19,20)21)12-6-8-13(9-7-12)25(27)28/h2-10H,1H3,(H,23,26)