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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propionamide Formula: C15H13BrF3N5O5 MolecularWeight: 480.19343

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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)C)[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)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrF3N5O5/c1-7-10(23(26)27)5-9(6-11(7)24(28)29)20-12(25)3-4-22-8(2)13(16)14(21-22)15(17,18)19/h5-6H,3-4H2,1-2H3,(H,20,25)