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

Systemtic Name: 1-(3-nitrophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone CAS Name: 1-(3-nitrophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Formula: C13H15N4O3+ MolecularWeight: 275.2832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N4O3/c1-9-14-15(3)10(2)16(9)8-13(18)11-5-4-6-12(7-11)17(19)20/h4-7H,8H2,1-3H3/q+1