4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]butan-2-one

Systemtic Name: 4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]butan-2-one Openeye Name: 4-[4-(2H-tetrazol-5-yl)phenyl]butan-2-one CAS Name: 4-[4-(2H-tetrazol-5-yl)phenyl]-2-butanone IUPAC Name: 4-[4-(2H-tetrazol-5-yl)phenyl]butan-2-one Traditional Name: 4-[4-(2H-tetrazol-5-yl)phenyl]butan-2-one Formula: C11H12N4O MolecularWeight: 216.23918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)C2=NNN=N2

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)C2=NNN=N2

InChI

InChI=1S/C11H12N4O/c1-8(16)2-3-9-4-6-10(7-5-9)11-12-14-15-13-11/h4-7H,2-3H2,1H3,(H,12,13,14,15)