1,3-dimethyl-5-(5-phenyl-1,2,3,4-tetrazol-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1,3-dimethyl-5-(5-phenyl-1,2,3,4-tetrazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 1,3-dimethyl-5-(5-phenyl-2-tetrazolyl)-4-pyrazolecarboxylic acid IUPAC Name: 1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazole-4-carboxylic acid Formula: C13H12N6O2 MolecularWeight: 284.27338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N2N=C(N=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N2N=C(N=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C13H12N6O2/c1-8-10(13(20)21)12(18(2)15-8)19-16-11(14-17-19)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,20,21)