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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-cyano-4-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-cyano-4-nitro-phenyl)propionamide Formula: C15H11BrF3N5O3 MolecularWeight: 446.17875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(F)(F)F)Br

InChI

InChI=1S/C15H11BrF3N5O3/c1-8-13(16)14(15(17,18)19)22-23(8)5-4-12(25)21-11-3-2-10(24(26)27)6-9(11)7-20/h2-3,6H,4-5H2,1H3,(H,21,25)