(E)-3-[2-(4-hydroxyphenyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(4-hydroxyphenyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-4-isoquinolyl]prop-2-enoic acid CAS Name: (E)-3-[6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-4-isoquinolinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-hydroxy-2-(4-hydroxyphenyl)-1-oxoisoquinolin-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-hydroxy-2-(4-hydroxyphenyl)-1-keto-4-isoquinolyl]acrylic acid Formula: C18H13NO5 MolecularWeight: 323.29952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C3=C(C2=O)C=CC(=C3)O)C=CC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C3=C(C2=O)C=CC(=C3)O)/C=C/C(=O)O)O

InChI

InChI=1S/C18H13NO5/c20-13-4-2-12(3-5-13)19-10-11(1-8-17(22)23)16-9-14(21)6-7-15(16)18(19)24/h1-10,20-21H,(H,22,23)/b8-1+