3-methyl-4-(4-nitrophenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-methyl-4-(4-nitrophenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-methyl-4-(4-nitrophenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-methyl-4-(4-nitrophenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-methyl-4-(4-nitrophenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-methyl-4-(4-nitrophenyl)-1H-1,2,4-triazol-5-one Formula: C9H8N4O3 MolecularWeight: 220.18482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NNC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O3/c1-6-10-11-9(14)12(6)7-2-4-8(5-3-7)13(15)16/h2-5H,1H3,(H,11,14)