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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methyl-2-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitro-phenyl)propionamide Formula: C15H14BrF3N4O3 MolecularWeight: 435.19587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrF3N4O3/c1-8-3-4-10(11(7-8)23(25)26)20-12(24)5-6-22-9(2)13(16)14(21-22)15(17,18)19/h3-4,7H,5-6H2,1-2H3,(H,20,24)