methyl 6-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(2-bromophenyl)-1,2,3-triazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(2-bromophenyl)-4-triazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(2-bromophenyl)triazole-4-carbonyl]amino]hexanoic acid methyl ester Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CN(N=N1)C2=CC=CC=C2Br

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CN(N=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C16H19BrN4O3/c1-24-15(22)9-3-2-6-10-18-16(23)13-11-21(20-19-13)14-8-5-4-7-12(14)17/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,18,23)