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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)[N+](=O)[O-])N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)[N+](=O)[O-])N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C17H16BrF3N4O4/c1-8(16(26)22-10-5-11(25(27)28)7-12(6-10)29-2)24-14(9-3-4-9)13(18)15(23-24)17(19,20)21/h5-9H,3-4H2,1-2H3,(H,22,26)