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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C15H14BrF3N4O4 MolecularWeight: 451.19527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(F)(F)F)Br

InChI

InChI=1S/C15H14BrF3N4O4/c1-8-13(16)14(15(17,18)19)21-22(8)6-5-12(24)20-10-4-3-9(23(25)26)7-11(10)27-2/h3-4,7H,5-6H2,1-2H3,(H,20,24)