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

Systemtic Name: 3-[5-acetamido-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-(5-acetamido-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 3-(5-acetamido-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 3-(5-acetamido-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(5-acetamido-1,3-diketo-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O5/c1-11(24)22-14-8-12-4-3-7-16-18(12)17(10-14)20(26)23(19(16)25)15-6-2-5-13(9-15)21(27)28/h2-10H,1H3,(H,22,24)(H,27,28)