(6E)-6-(1,2-dihydrobenzotriazol-4-ylidene)-2,4-dimethyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(1,2-dihydrobenzotriazol-4-ylidene)-2,4-dimethyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(1,2-dihydrobenzotriazol-4-ylidene)-2,4-dimethyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(1,2-dihydrobenzotriazol-4-ylidene)-2,4-dimethyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(1,2-dihydrobenzotriazol-4-ylidene)-2,4-dimethylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(1,2-dihydrobenzotriazol-4-ylidene)-2,4-dimethyl-cyclohexa-2,4-dien-1-one Formula: C14H13N3O MolecularWeight: 239.27252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC=C3C2=NNN3)C(=O)C(=C1)C

Isomeric SMILES

CC1=C/C(=C\2/C=CC=C3C2=NNN3)/C(=O)C(=C1)C

InChI

InChI=1S/C14H13N3O/c1-8-6-9(2)14(18)11(7-8)10-4-3-5-12-13(10)16-17-15-12/h3-7,15,17H,1-2H3/b11-10+