1,6,6-trimethyl-5,7-dihydrobenzotriazol-4-one

Systemtic Name: 1,6,6-trimethyl-5,7-dihydrobenzotriazol-4-one Openeye Name: 1,6,6-trimethyl-5,7-dihydrobenzotriazol-4-one CAS Name: 1,6,6-trimethyl-5,7-dihydrobenzotriazol-4-one IUPAC Name: 1,6,6-trimethyl-5,7-dihydrobenzotriazol-4-one Traditional Name: 1,6,6-trimethyl-5,7-dihydrobenzotriazol-4-one Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)N=NN2C)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)N=NN2C)C

InChI

InChI=1S/C9H13N3O/c1-9(2)4-6-8(7(13)5-9)10-11-12(6)3/h4-5H2,1-3H3