4,4-dimethyl-2-(3-oxidanylidenebutyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(3-oxidanylidenebutyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(3-oxobutyl)isoquinoline-1,3-dione CAS Name: 4,4-dimethyl-2-(3-oxobutyl)isoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(3-oxobutyl)isoquinoline-1,3-dione Traditional Name: 2-(3-ketobutyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

Isomeric SMILES

CC(=O)CCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

InChI

InChI=1S/C15H17NO3/c1-10(17)8-9-16-13(18)11-6-4-5-7-12(11)15(2,3)14(16)19/h4-7H,8-9H2,1-3H3