(4E)-4-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-5-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: (4E)-4-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-5-oxidanyl-cyclohex-2-en-1-one Openeye Name: (4E)-5-hydroxy-4-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)cyclohex-2-en-1-one CAS Name: (4E)-5-hydroxy-4-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)-1-cyclohex-2-enone IUPAC Name: (4E)-5-hydroxy-4-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)cyclohex-2-en-1-one Traditional Name: (4E)-5-hydroxy-4-(5-methyl-1,2-dihydrobenzotriazol-4-ylidene)cyclohex-2-en-1-one Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=NNN2)C1=C3C=CC(=O)CC3O

Isomeric SMILES

CC\1=CC=C2C(=NNN2)/C1=C/3\C=CC(=O)CC3O

InChI

InChI=1S/C13H13N3O2/c1-7-2-5-10-13(15-16-14-10)12(7)9-4-3-8(17)6-11(9)18/h2-5,11,14,16,18H,6H2,1H3/b12-9+