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

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C17H16BrF3N4O4 MolecularWeight: 477.23255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrF3N4O4/c1-29-10-4-5-11(12(8-10)25(27)28)22-13(26)6-7-24-15(9-2-3-9)14(18)16(23-24)17(19,20)21/h4-5,8-9H,2-3,6-7H2,1H3,(H,22,26)