2-(3,4-dimethylphenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate

Systemtic Name: 2-(3,4-dimethylphenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate Openeye Name: 2-(3,4-dimethylphenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate CAS Name: 2-(3,4-dimethylphenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate IUPAC Name: 2-(3,4-dimethylphenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate Traditional Name: 5-carbethoxy-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-olate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)[O-])C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)[O-])C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C13H15N3O3/c1-4-19-12(17)11-14-13(18)16(15-11)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15,18)/p-1