4-[[4-(5-oxidanyl-1-oxidanylidene-2H-isoquinolin-4-yl)phenyl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[4-(5-oxidanyl-1-oxidanylidene-2H-isoquinolin-4-yl)phenyl]carbamoylamino]benzoic acid Openeye Name: 4-[[4-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)phenyl]carbamoylamino]benzoic acid CAS Name: 4-[[[4-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)phenyl]carbamoylamino]benzoic acid Traditional Name: 4-[[4-(5-hydroxy-1-keto-2H-isoquinolin-4-yl)phenyl]carbamoylamino]benzoic acid Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=CNC2=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=CNC2=O)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17N3O5/c27-19-3-1-2-17-20(19)18(12-24-21(17)28)13-4-8-15(9-5-13)25-23(31)26-16-10-6-14(7-11-16)22(29)30/h1-12,27H,(H,24,28)(H,29,30)(H2,25,26,31)