1-(3-bromophenyl)-5-(ethoxymethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(3-bromophenyl)-5-(ethoxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-(ethoxymethyl)triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-(ethoxymethyl)-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-(ethoxymethyl)triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-(ethoxymethyl)triazole-4-carboxylate Formula: C12H11BrN3O3- MolecularWeight: 325.13804

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)[O-]

Isomeric SMILES

CCOCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)[O-]

InChI

InChI=1S/C12H12BrN3O3/c1-2-19-7-10-11(12(17)18)14-15-16(10)9-5-3-4-8(13)6-9/h3-6H,2,7H2,1H3,(H,17,18)/p-1