3-methyl-4H-1,3,4-benzotriazepin-5-one

Systemtic Name: 3-methyl-4H-1,3,4-benzotriazepin-5-one Openeye Name: 3-methyl-4H-1,3,4-benzotriazepin-5-one CAS Name: 3-methyl-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 3-methyl-4H-1,3,4-benzotriazepin-5-one Traditional Name: 3-methyl-4H-1,3,4-benzotriazepin-5-one Formula: C9H9N3O MolecularWeight: 175.18726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CN1C=NC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C9H9N3O/c1-12-6-10-8-5-3-2-4-7(8)9(13)11-12/h2-6H,1H3,(H,11,13)