4-[6-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: 4-[6-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: 4-(6-hydroxy-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(6-hydroxy-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoate IUPAC Name: 4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(6-hydroxy-1,3-diketo-benzo[de]isoquinolin-2-yl)butyrate Formula: C16H12NO5- MolecularWeight: 298.27018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)[O-])O

InChI

InChI=1S/C16H13NO5/c18-12-7-6-11-14-9(12)3-1-4-10(14)15(21)17(16(11)22)8-2-5-13(19)20/h1,3-4,6-7,18H,2,5,8H2,(H,19,20)/p-1