2-[[1-(3-bromophenyl)-5-ethyl-1,2,3-triazol-4-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[1-(3-bromophenyl)-5-ethyl-1,2,3-triazol-4-yl]carbonylamino]ethanoate Openeye Name: 2-[[1-(3-bromophenyl)-5-ethyl-triazole-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(3-bromophenyl)-5-ethyl-4-triazolyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[1-(3-bromophenyl)-5-ethyltriazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(3-bromophenyl)-5-ethyl-triazole-4-carbonyl]amino]acetate Formula: C13H12BrN4O3- MolecularWeight: 352.16338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)NCC(=O)[O-]

Isomeric SMILES

CCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C13H13BrN4O3/c1-2-10-12(13(21)15-7-11(19)20)16-17-18(10)9-5-3-4-8(14)6-9/h3-6H,2,7H2,1H3,(H,15,21)(H,19,20)/p-1