3-[5-acetamido-8-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[5-acetamido-8-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzoic acid Openeye Name: 3-(5-acetamido-8-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)-4-chloro-benzoic acid CAS Name: 3-(5-acetamido-8-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)-4-chlorobenzoic acid IUPAC Name: 3-(5-acetamido-8-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-4-chlorobenzoic acid Traditional Name: 3-(5-acetamido-8-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)-4-chloro-benzoic acid Formula: C21H12BrClN2O5 MolecularWeight: 487.68738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)C4=C(C=CC(=C4)C(=O)O)Cl)Br

Isomeric SMILES

CC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)C4=C(C=CC(=C4)C(=O)O)Cl)Br

InChI

InChI=1S/C21H12BrClN2O5/c1-9(26)24-13-5-11-4-12(22)7-14-18(11)15(8-13)20(28)25(19(14)27)17-6-10(21(29)30)2-3-16(17)23/h2-8H,1H3,(H,24,26)(H,29,30)