1-(2-methylpropanoyl)-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-(2-methylpropanoyl)-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-(2-methylpropanoyl)-4-phenyl-tetrazol-5-one CAS Name: 1-(2-methyl-1-oxopropyl)-4-phenyl-5-tetrazolone IUPAC Name: 1-(2-methylpropanoyl)-4-phenyltetrazol-5-one Traditional Name: 1-isobutyryl-4-phenyl-tetrazol-5-one Formula: C11H12N4O2 MolecularWeight: 232.23858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(=O)N(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)N1C(=O)N(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H12N4O2/c1-8(2)10(16)15-11(17)14(12-13-15)9-6-4-3-5-7-9/h3-8H,1-2H3