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

Systemtic Name: 5-bromanyl-2-[3-(ethoxymethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(ethoxymethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(ethoxymethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(ethoxymethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-[3-(ethoxymethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Formula: C14H16BrN3O3 MolecularWeight: 354.19914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)COCC

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)COCC

InChI

InChI=1S/C14H16BrN3O3/c1-3-12-16-17-13(8-21-4-2)18(12)11-6-5-9(15)7-10(11)14(19)20/h5-7H,3-4,8H2,1-2H3,(H,19,20)