5-ethyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(6-methyl-3-phenyl-anthranil-5-yl)triazole-4-carboxylic acid Formula: C19H16N4O3 MolecularWeight: 348.35534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H16N4O3/c1-3-15-17(19(24)25)20-22-23(15)16-10-13-14(9-11(16)2)21-26-18(13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,24,25)