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

Systemtic Name: 5-bromanyl-2-[3-(ethoxymethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(ethoxymethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(ethoxymethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(ethoxymethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-[3-(ethoxymethyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCOCC1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H12BrN3O3/c1-2-19-6-11-15-14-7-16(11)10-4-3-8(13)5-9(10)12(17)18/h3-5,7H,2,6H2,1H3,(H,17,18)