2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C11H9BrFN5O3 MolecularWeight: 358.123263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)F

InChI

InChI=1S/C11H9BrFN5O3/c1-6-2-3-7(4-8(6)13)14-9(19)5-17-10(12)15-11(16-17)18(20)21/h2-4H,5H2,1H3,(H,14,19)