5-butyl-1,2-dihydrobenzotriazol-4-one

Systemtic Name: 5-butyl-1,2-dihydrobenzotriazol-4-one Openeye Name: 5-butyl-1,2-dihydrobenzotriazol-4-one CAS Name: 5-butyl-1,2-dihydrobenzotriazol-4-one IUPAC Name: 5-butyl-1,2-dihydrobenzotriazol-4-one Traditional Name: 5-butyl-1,2-dihydrobenzotriazol-4-one Formula: C10H13N3O MolecularWeight: 191.22972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C2C(=NNN2)C1=O

Isomeric SMILES

CCCCC1=CC=C2C(=NNN2)C1=O

InChI

InChI=1S/C10H13N3O/c1-2-3-4-7-5-6-8-9(10(7)14)12-13-11-8/h5-6,11,13H,2-4H2,1H3