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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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