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

Systemtic Name: 2-[3-(chloromethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(chloromethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(chloromethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(chloromethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-(chloromethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2C(=O)O)CCl

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2C(=O)O)CCl

InChI

InChI=1S/C12H12ClN3O2/c1-2-10-14-15-11(7-13)16(10)9-6-4-3-5-8(9)12(17)18/h3-6H,2,7H2,1H3,(H,17,18)