2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Formula: C16H11BrN4O4 MolecularWeight: 403.18694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H11BrN4O4/c17-15-18-16(21(23)24)19-20(15)10-14(22)11-6-8-13(9-7-11)25-12-4-2-1-3-5-12/h1-9H,10H2