4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17F3N4O3/c1-12-18(27(29)30)13(2)26(25-12)11-14-3-5-15(6-4-14)19(28)24-17-9-7-16(8-10-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,28)