propan-2-yl 5-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-chloranyl-benzoate

Systemtic Name: propan-2-yl 5-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-chloranyl-benzoate Openeye Name: isopropyl 5-(6-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-chloro-benzoate CAS Name: 5-(6-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-chlorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-chlorobenzoate Traditional Name: 5-(6-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)-2-chloro-benzoic acid isopropyl ester Formula: C22H15BrClNO4 MolecularWeight: 472.7158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)Cl

InChI

InChI=1S/C22H15BrClNO4/c1-11(2)29-22(28)16-10-12(6-9-18(16)24)25-20(26)14-5-3-4-13-17(23)8-7-15(19(13)14)21(25)27/h3-11H,1-2H3