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

Systemtic Name: propyl 5-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-chloranyl-benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H15BrClNO4 MolecularWeight: 472.7158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrClNO4/c1-2-8-29-22(28)16-11-14(6-7-18(16)24)25-20(26)15-5-3-4-12-9-13(23)10-17(19(12)15)21(25)27/h3-7,9-11H,2,8H2,1H3