3-(3-cyanophenyl)-5-(1,2,3,4-tetrazol-2-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(3-cyanophenyl)-5-(1,2,3,4-tetrazol-2-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-5-(tetrazol-2-ylmethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(3-cyanophenyl)-5-(2-tetrazolylmethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(3-cyanophenyl)-5-(tetrazol-2-ylmethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-(tetrazol-2-ylmethyl)-2-isoxazoline-5-carboxylic acid Formula: C13H10N6O3 MolecularWeight: 298.2569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CN2N=CN=N2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=NOC1(CN2N=CN=N2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C13H10N6O3/c14-6-9-2-1-3-10(4-9)11-5-13(12(20)21,22-17-11)7-19-16-8-15-18-19/h1-4,8H,5,7H2,(H,20,21)