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

Systemtic Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 3-[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)CCN2C(=CC(=N2)C(F)(F)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=CC(=N2)C(F)(F)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O5/c1-9-12(24(27)28)6-11(7-13(9)25(29)30)21-16(26)4-5-23-14(10-2-3-10)8-15(22-23)17(18,19)20/h6-8,10H,2-5H2,1H3,(H,21,26)