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

Systemtic Name: 2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide Openeye Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitro-phenyl)propanamide CAS Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-3,5-dinitrophenyl)propanamide IUPAC Name: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)propanamide Traditional Name: 2-[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)C(C)N2C(=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)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrF3N5O5/c1-6-10(23(26)27)4-9(5-11(6)24(28)29)20-14(25)8(3)22-7(2)12(16)13(21-22)15(17,18)19/h4-5,8H,1-3H3,(H,20,25)