5-(4-methyl-3-nitro-phenyl)-1,2-dihydro-1,2,4-triazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=O)NN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=O)NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O3/c1-5-2-3-6(4-7(5)13(15)16)8-10-9(14)12-11-8/h2-4H,1H3,(H2,10,11,12,14)