2-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 3-bromanylbenzoate

Systemtic Name: 2-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 3-bromanylbenzoate Openeye Name: 2-(6-morpholino-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 2-[6-(4-morpholinyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]ethyl ester IUPAC Name: 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 2-(1,3-diketo-6-morpholino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C25H21BrN2O5 MolecularWeight: 509.34864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1COCCN1C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCOC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H21BrN2O5/c26-17-4-1-3-16(15-17)25(31)33-14-11-28-23(29)19-6-2-5-18-21(27-9-12-32-13-10-27)8-7-20(22(18)19)24(28)30/h1-8,15H,9-14H2