methyl 1-(4-bromophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(4-bromophenyl)-5-(2-methoxy-2-oxo-ethyl)triazole-4-carboxylate CAS Name: 1-(4-bromophenyl)-5-(2-methoxy-2-oxoethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate Traditional Name: 1-(4-bromophenyl)-5-(2-keto-2-methoxy-ethyl)triazole-4-carboxylic acid methyl ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C13H12BrN3O4/c1-20-11(18)7-10-12(13(19)21-2)15-16-17(10)9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3