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

Systemtic Name: N-(4-acetamidophenyl)-2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H11BrN6O4 MolecularWeight: 383.15754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN6O4/c1-7(20)14-8-2-4-9(5-3-8)15-10(21)6-18-11(13)16-12(17-18)19(22)23/h2-5H,6H2,1H3,(H,14,20)(H,15,21)