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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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