2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol

Systemtic Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol Openeye Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol CAS Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol IUPAC Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol Traditional Name: 2-[5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazol-4-ium-4-yl]ethanol Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CCO

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CCO

InChI

InChI=1S/C17H17N4O3/c1-13-19(11-12-22)17(14-5-3-2-4-6-14)18-20(13)15-7-9-16(10-8-15)21(23)24/h2-10,22H,11-12H2,1H3/q+1