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

Systemtic Name: 5-ethoxycarbonyl-2-(3-methylphenyl)-1,2,4-triazol-3-olate Openeye Name: 5-ethoxycarbonyl-2-(m-tolyl)-1,2,4-triazol-3-olate CAS Name: 5-ethoxycarbonyl-2-(3-methylphenyl)-1,2,4-triazol-3-olate IUPAC Name: 5-ethoxycarbonyl-2-(3-methylphenyl)-1,2,4-triazol-3-olate Traditional Name: 5-carbethoxy-2-(m-tolyl)-1,2,4-triazol-3-olate Formula: C12H12N3O3- MolecularWeight: 246.24198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-3-18-11(16)10-13-12(17)15(14-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,13,14,17)/p-1