(E)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)but-2-en-1-one Openeye Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)but-2-en-1-one CAS Name: (E)-1-(3-oxido-1-benzotriazol-3-iumyl)-2-buten-1-one IUPAC Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)but-2-en-1-one Traditional Name: (E)-1-(3-oxidobenzotriazol-3-ium-1-yl)but-2-en-1-one Formula: C10H9N3O2 MolecularWeight: 203.19736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1C2=CC=CC=C2[N+](=N1)[O-]

Isomeric SMILES

C/C=C/C(=O)N1C2=CC=CC=C2[N+](=N1)[O-]

InChI

InChI=1S/C10H9N3O2/c1-2-5-10(14)12-8-6-3-4-7-9(8)13(15)11-12/h2-7H,1H3/b5-2+