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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC)[O-]

InChI

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