5-ethyl-3-(phenylmethyl)-1,2-dihydro-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-3-(phenylmethyl)-1,2-dihydro-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-benzyl-5-ethyl-1,2-dihydrotriazole-4-carboxylic acid CAS Name: 5-ethyl-3-(phenylmethyl)-1,2-dihydrotriazole-4-carboxylic acid IUPAC Name: 3-benzyl-5-ethyl-1,2-dihydrotriazole-4-carboxylic acid Traditional Name: 3-benzyl-5-ethyl-1,2-dihydrotriazole-4-carboxylic acid Formula: C12H15N3O2 MolecularWeight: 233.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(NN1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC1=C(N(NN1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H15N3O2/c1-2-10-11(12(16)17)15(14-13-10)8-9-6-4-3-5-7-9/h3-7,13-14H,2,8H2,1H3,(H,16,17)