2,2-dimethyl-5-[2-[2-(phenylcarbonyl)-1H-pyrrol-3-yl]ethyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[2-[2-(phenylcarbonyl)-1H-pyrrol-3-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(2-benzoyl-1H-pyrrol-3-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(2-benzoyl-1H-pyrrol-3-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(2-benzoyl-1H-pyrrol-3-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(2-benzoyl-1H-pyrrol-3-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C19H19NO5 MolecularWeight: 341.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCC2=C(NC=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCC2=C(NC=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19NO5/c1-19(2)24-17(22)14(18(23)25-19)9-8-12-10-11-20-15(12)16(21)13-6-4-3-5-7-13/h3-7,10-11,14,20H,8-9H2,1-2H3