dimethyl 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[2-(4-bromoanilino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(4-bromoanilino)-2-keto-ethyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C14H13BrN4O5 MolecularWeight: 397.18082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H13BrN4O5/c1-23-13(21)11-12(14(22)24-2)19(18-17-11)7-10(20)16-9-5-3-8(15)4-6-9/h3-6H,7H2,1-2H3,(H,16,20)