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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chloranyl-2-nitro-phenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chloro-2-nitro-phenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-chloro-2-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chloro-2-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-chloro-2-nitro-phenyl)propionamide Formula: C14H11BrClF3N4O3 MolecularWeight: 455.61435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrClF3N4O3/c1-7-12(15)13(14(17,18)19)21-22(7)5-4-11(24)20-9-3-2-8(16)6-10(9)23(25)26/h2-3,6H,4-5H2,1H3,(H,20,24)