4-butyl-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 4-butyl-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 4-butyl-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione CAS Name: 4-butyl-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 4-butyl-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 4-butyl-2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-quinone Formula: C18H19NO3 MolecularWeight: 297.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C3=C(C=CC=C3C(=O)N(C2=O)CCO)C=C1

Isomeric SMILES

CCCCC1=C2C3=C(C=CC=C3C(=O)N(C2=O)CCO)C=C1

InChI

InChI=1S/C18H19NO3/c1-2-3-5-13-9-8-12-6-4-7-14-15(12)16(13)18(22)19(10-11-20)17(14)21/h4,6-9,20H,2-3,5,10-11H2,1H3