2,4-bis(oxidanyl)-3-[3-(1-oxidanylideneisoquinolin-2-yl)propanoylamino]benzoic acid

Systemtic Name: 2,4-bis(oxidanyl)-3-[3-(1-oxidanylideneisoquinolin-2-yl)propanoylamino]benzoic acid Openeye Name: 2,4-dihydroxy-3-[3-(1-oxo-2-isoquinolyl)propanoylamino]benzoic acid CAS Name: 2,4-dihydroxy-3-[[1-oxo-3-(1-oxo-2-isoquinolinyl)propyl]amino]benzoic acid IUPAC Name: 2,4-dihydroxy-3-[3-(1-oxoisoquinolin-2-yl)propanoylamino]benzoic acid Traditional Name: 2,4-dihydroxy-3-[3-(1-keto-2-isoquinolyl)propanoylamino]benzoic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

InChI

InChI=1S/C19H16N2O6/c22-14-6-5-13(19(26)27)17(24)16(14)20-15(23)8-10-21-9-7-11-3-1-2-4-12(11)18(21)25/h1-7,9,22,24H,8,10H2,(H,20,23)(H,26,27)