2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide

Systemtic Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propionamide Formula: C17H16F3N5O5 MolecularWeight: 427.33465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C(C)N2C(=CC(=N2)C(F)(F)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C(C)N2C(=CC(=N2)C(F)(F)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O5/c1-8-12(24(27)28)5-11(6-13(8)25(29)30)21-16(26)9(2)23-14(10-3-4-10)7-15(22-23)17(18,19)20/h5-7,9-10H,3-4H2,1-2H3,(H,21,26)