4-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]benzonitrile CAS Name: 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]benzonitrile IUPAC Name: 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]benzonitrile Traditional Name: 4-[(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-yl)methyl]benzonitrile Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C14H13NO4/c1-14(2)18-12(16)11(13(17)19-14)7-9-3-5-10(8-15)6-4-9/h3-6,11H,7H2,1-2H3