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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-ethoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitro-phenyl)propionamide Formula: C16H16BrF3N4O4 MolecularWeight: 465.22185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrF3N4O4/c1-3-28-10-4-5-11(12(8-10)24(26)27)21-13(25)6-7-23-9(2)14(17)15(22-23)16(18,19)20/h4-5,8H,3,6-7H2,1-2H3,(H,21,25)