N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C19H15F3N4O4 MolecularWeight: 420.34201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O4/c1-10-3-4-11(2)16(5-10)30-14-7-12(6-13(8-14)26(28)29)23-18(27)15-9-17(25-24-15)19(20,21)22/h3-9H,1-2H3,(H,23,27)(H,24,25)