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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N,N-diphenyl-ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diphenyl-acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diphenylacetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diphenylacetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diphenyl-acetamide Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5O3/c17-15-18-16(22(24)25)19-20(15)11-14(23)21(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2