4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C18H12BrF3N4O3 MolecularWeight: 469.21209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C18H12BrF3N4O3/c19-15-10-25(24-16(15)26(28)29)9-11-4-6-12(7-5-11)17(27)23-14-3-1-2-13(8-14)18(20,21)22/h1-8,10H,9H2,(H,23,27)