N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

Systemtic Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide CAS Name: N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C21H19F3N4O4 MolecularWeight: 448.39517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C21H19F3N4O4/c1-13-5-3-4-6-18(13)32-17-11-15(10-16(12-17)28(30)31)25-20(29)7-8-27-14(2)9-19(26-27)21(22,23)24/h3-6,9-12H,7-8H2,1-2H3,(H,25,29)