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

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propionamide Formula: C17H15BrF3N5O5 MolecularWeight: 506.23071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrF3N5O5/c1-8-11(25(28)29)6-10(7-12(8)26(30)31)22-13(27)4-5-24-15(9-2-3-9)14(18)16(23-24)17(19,20)21/h6-7,9H,2-5H2,1H3,(H,22,27)