5-bromanyl-2-[3-(ethoxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(ethoxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(ethoxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(ethoxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(ethoxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-[3-(ethoxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CCOCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C13H14BrN3O3/c1-3-20-7-12-16-15-8(2)17(12)11-5-4-9(14)6-10(11)13(18)19/h4-6H,3,7H2,1-2H3,(H,18,19)