3-[3-(3-bromophenyl)-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-bromophenyl)-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-bromophenyl)-1,2,4-triazol-1-yl]propanoic acid CAS Name: 3-[3-(3-bromophenyl)-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 3-[3-(3-bromophenyl)-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-bromophenyl)-1,2,4-triazol-1-yl]propionic acid Formula: C11H10BrN3O2 MolecularWeight: 296.12

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C=N2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C=N2)CCC(=O)O

InChI

InChI=1S/C11H10BrN3O2/c12-9-3-1-2-8(6-9)11-13-7-15(14-11)5-4-10(16)17/h1-3,6-7H,4-5H2,(H,16,17)