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

Systemtic Name: 3-[5-acetamido-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-fluoranyl-benzoic acid Openeye Name: 3-(5-acetamido-1,3-dioxo-benzo[de]isoquinolin-2-yl)-4-fluoro-benzoic acid CAS Name: 3-(5-acetamido-1,3-dioxo-2-benzo[de]isoquinolinyl)-4-fluorobenzoic acid IUPAC Name: 3-(5-acetamido-1,3-dioxobenzo[de]isoquinolin-2-yl)-4-fluorobenzoic acid Traditional Name: 3-(5-acetamido-1,3-diketo-benzo[de]isoquinolin-2-yl)-4-fluoro-benzoic acid Formula: C21H13FN2O5 MolecularWeight: 392.336723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13FN2O5/c1-10(25)23-13-7-11-3-2-4-14-18(11)15(9-13)20(27)24(19(14)26)17-8-12(21(28)29)5-6-16(17)22/h2-9H,1H3,(H,23,25)(H,28,29)