dimethyl (Z)-2-[1-(2-oxidanylidenepropyl)-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[1-(2-oxidanylidenepropyl)-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (Z)-2-(1-acetonyl-1H-isoquinolin-2-yl)but-2-enedioate CAS Name: (Z)-2-[1-(2-oxopropyl)-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[1-(2-oxopropyl)-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (Z)-2-(1-acetonyl-1H-isoquinolin-2-yl)but-2-enedioic acid dimethyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2C=CN1C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2C=CN1/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C18H19NO5/c1-12(20)10-15-14-7-5-4-6-13(14)8-9-19(15)16(18(22)24-3)11-17(21)23-2/h4-9,11,15H,10H2,1-3H3/b16-11-