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

Systemtic Name: ethyl 5-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-chloranyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H13BrClNO4 MolecularWeight: 458.68922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClNO4/c1-2-28-21(27)15-10-11(6-9-17(15)23)24-19(25)13-5-3-4-12-16(22)8-7-14(18(12)13)20(24)26/h3-10H,2H2,1H3