5-ethanoyl-2-(4-methyl-3-nitro-phenyl)-1,2,4-triazol-3-olate

Systemtic Name: 5-ethanoyl-2-(4-methyl-3-nitro-phenyl)-1,2,4-triazol-3-olate Openeye Name: 5-acetyl-2-(4-methyl-3-nitro-phenyl)-1,2,4-triazol-3-olate CAS Name: 5-acetyl-2-(4-methyl-3-nitrophenyl)-1,2,4-triazol-3-olate IUPAC Name: 5-acetyl-2-(4-methyl-3-nitrophenyl)-1,2,4-triazol-3-olate Traditional Name: 5-acetyl-2-(4-methyl-3-nitro-phenyl)-1,2,4-triazol-3-olate Formula: C11H9N4O4- MolecularWeight: 261.21356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NC(=N2)C(=O)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NC(=N2)C(=O)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4/c1-6-3-4-8(5-9(6)15(18)19)14-11(17)12-10(13-14)7(2)16/h3-5H,1-2H3,(H,12,13,17)/p-1