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

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Formula: C16H12N4O4 MolecularWeight: 324.29088

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O4/c21-15(10-19-11-17-16(18-19)20(22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9,11H,10H2