3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propionamide Formula: C16H14BrF3N4O3 MolecularWeight: 447.20657

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

C1CC1C2=C(C(=NN2CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C16H14BrF3N4O3/c17-13-14(9-1-2-9)23(22-15(13)16(18,19)20)8-7-12(25)21-10-3-5-11(6-4-10)24(26)27/h3-6,9H,1-2,7-8H2,(H,21,25)