2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(3-acetylphenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(3-acetylphenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(3-acetylphenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H10BrN5O4 MolecularWeight: 368.1429

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H10BrN5O4/c1-7(19)8-3-2-4-9(5-8)14-10(20)6-17-11(13)15-12(16-17)18(21)22/h2-5H,6H2,1H3,(H,14,20)