4-[4,5-dimethyl-2-(3-methyl-3-oxidanyl-butyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4,5-dimethyl-2-(3-methyl-3-oxidanyl-butyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(3-hydroxy-3-methyl-butyl)-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]benzonitrile CAS Name: 4-[2-(3-hydroxy-3-methylbutyl)-4,5-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl]benzonitrile IUPAC Name: 4-[2-(3-hydroxy-3-methylbutyl)-4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]benzonitrile Traditional Name: 4-[2-(3-hydroxy-3-methyl-butyl)-3,6-diketo-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]benzonitrile Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)CCC(C)(C)O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)CCC(C)(C)O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H21NO3/c1-12-13(2)19(23)17(15-7-5-14(11-21)6-8-15)16(18(12)22)9-10-20(3,4)24/h5-8,24H,9-10H2,1-4H3