2-(4,4-dimethyl-2-oxidanylidene-6-phenyldiazenyl-7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione

Systemtic Name: 2-(4,4-dimethyl-2-oxidanylidene-6-phenyldiazenyl-7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione Openeye Name: 2-(4,4-dimethyl-2-oxo-6-phenylazo-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-dione CAS Name: 2-(4,4-dimethyl-2-oxo-6-phenyldiazenyl-7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione IUPAC Name: 2-(4,4-dimethyl-2-oxo-6-phenyldiazenyl-7-azabicyclo[4.1.0]heptan-7-yl)isoindole-1,3-dione Traditional Name: 2-(2-keto-4,4-dimethyl-6-phenylazo-7-azabicyclo[4.1.0]heptan-7-yl)isoindoline-1,3-quinone Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(C1)(N2N3C(=O)C4=CC=CC=C4C3=O)N=NC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(=O)C2C(C1)(N2N3C(=O)C4=CC=CC=C4C3=O)N=NC5=CC=CC=C5)C

InChI

InChI=1S/C22H20N4O3/c1-21(2)12-17(27)18-22(13-21,24-23-14-8-4-3-5-9-14)26(18)25-19(28)15-10-6-7-11-16(15)20(25)29/h3-11,18H,12-13H2,1-2H3