3-[5-(dimethylaminomethyl)-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(dimethylaminomethyl)-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[5-(dimethylaminomethyl)triazol-1-yl]benzoic acid CAS Name: 3-[5-(dimethylaminomethyl)-1-triazolyl]benzoic acid IUPAC Name: 3-[5-(dimethylaminomethyl)triazol-1-yl]benzoic acid Traditional Name: 3-[5-(dimethylaminomethyl)triazol-1-yl]benzoic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CN=NN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN(C)CC1=CN=NN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H14N4O2/c1-15(2)8-11-7-13-14-16(11)10-5-3-4-9(6-10)12(17)18/h3-7H,8H2,1-2H3,(H,17,18)