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

Systemtic Name: 2-(2-bromophenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate Openeye Name: 2-(2-bromophenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate CAS Name: 2-(2-bromophenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate IUPAC Name: 2-(2-bromophenyl)-5-ethoxycarbonyl-1,2,4-triazol-3-olate Traditional Name: 2-(2-bromophenyl)-5-carbethoxy-1,2,4-triazol-3-olate Formula: C11H9BrN3O3- MolecularWeight: 311.11146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)[O-])C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)[O-])C2=CC=CC=C2Br

InChI

InChI=1S/C11H10BrN3O3/c1-2-18-10(16)9-13-11(17)15(14-9)8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H,13,14,17)/p-1