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

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-cyano-4-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitro-phenyl)propionamide Formula: C17H13BrF3N5O3 MolecularWeight: 472.21603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrF3N5O3/c18-14-15(9-1-2-9)25(24-16(14)17(19,20)21)6-5-13(27)23-12-4-3-11(26(28)29)7-10(12)8-22/h3-4,7,9H,1-2,5-6H2,(H,23,27)