2-[[1-(3-bromophenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(3-bromophenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(3-bromophenyl)-5-methyl-triazole-4-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(3-bromophenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(3-bromophenyl)-5-methyl-triazole-4-carbonyl]amino]acetic acid Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)NCC(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)NCC(=O)O

InChI

InChI=1S/C12H11BrN4O3/c1-7-11(12(20)14-6-10(18)19)15-16-17(7)9-4-2-3-8(13)5-9/h2-5H,6H2,1H3,(H,14,20)(H,18,19)