2-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3,5-dimethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1C2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=[N+]1C2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N4O3/c1-13-19-20(14(2)21(13)16-6-4-3-5-7-16)12-18(23)15-8-10-17(11-9-15)22(24)25/h3-11H,12H2,1-2H3/q+1