1-(4-nitrophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone Openeye Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-nitrophenyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone IUPAC Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-nitrophenyl)ethanone Formula: C17H15N4O3+ MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N4O3/c22-17(15-6-8-16(9-7-15)21(23)24)11-19-12-18-20(13-19)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2/q+1