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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C16H14BrF3N4O4 MolecularWeight: 463.20597

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrF3N4O4/c1-28-9-4-5-10(11(6-9)24(26)27)21-12(25)7-23-14(8-2-3-8)13(17)15(22-23)16(18,19)20/h4-6,8H,2-3,7H2,1H3,(H,21,25)