2-[(3-bromanyl-5-methyl-1,2,4-triazol-1-yl)methyl]-3-oxidanyl-2-phenyl-propanoate

Systemtic Name: 2-[(3-bromanyl-5-methyl-1,2,4-triazol-1-yl)methyl]-3-oxidanyl-2-phenyl-propanoate Openeye Name: 2-[(3-bromo-5-methyl-1,2,4-triazol-1-yl)methyl]-3-hydroxy-2-phenyl-propanoate CAS Name: 2-[(3-bromo-5-methyl-1,2,4-triazol-1-yl)methyl]-3-hydroxy-2-phenylpropanoate IUPAC Name: 2-[(3-bromo-5-methyl-1,2,4-triazol-1-yl)methyl]-3-hydroxy-2-phenylpropanoate Traditional Name: 2-[(3-bromo-5-methyl-1,2,4-triazol-1-yl)methyl]-3-hydroxy-2-phenyl-propionate Formula: C13H13BrN3O3- MolecularWeight: 339.16462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(CO)(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

CC1=NC(=NN1CC(CO)(C2=CC=CC=C2)C(=O)[O-])Br

InChI

InChI=1S/C13H14BrN3O3/c1-9-15-12(14)16-17(9)7-13(8-18,11(19)20)10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,19,20)/p-1