1-[4-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone

Systemtic Name: 1-[4-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone Openeye Name: 1-[4-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone CAS Name: 1-[4-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone IUPAC Name: 1-[4-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone Traditional Name: 1-[4-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4/c1-11(22)12-5-7-15(8-6-12)25-10-16-18-17(20-19-16)13-3-2-4-14(9-13)21(23)24/h2-9H,10H2,1H3,(H,18,19,20)