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

Systemtic Name: methyl 5-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-chloranyl-benzoate Openeye Name: methyl 5-(5-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-chloro-benzoate CAS Name: 5-(5-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-(5-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-chlorobenzoate Traditional Name: 5-(5-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)-2-chloro-benzoic acid methyl ester Formula: C20H11BrClNO4 MolecularWeight: 444.66264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br)Cl

InChI

InChI=1S/C20H11BrClNO4/c1-27-20(26)14-9-12(5-6-16(14)22)23-18(24)13-4-2-3-10-7-11(21)8-15(17(10)13)19(23)25/h2-9H,1H3