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

Systemtic Name: (E)-4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]but-3-en-2-one Openeye Name: (E)-4-[4-(2H-tetrazol-5-yl)phenyl]but-3-en-2-one CAS Name: (E)-4-[4-(2H-tetrazol-5-yl)phenyl]-3-buten-2-one IUPAC Name: (E)-4-[4-(2H-tetrazol-5-yl)phenyl]but-3-en-2-one Traditional Name: (E)-4-[4-(2H-tetrazol-5-yl)phenyl]but-3-en-2-one Formula: C11H10N4O MolecularWeight: 214.2233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)C2=NNN=N2

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O/c1-8(16)2-3-9-4-6-10(7-5-9)11-12-14-15-13-11/h2-7H,1H3,(H,12,13,14,15)/b3-2+