(E)-3-[3-(4,5-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(4,5-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(6,7-dimethoxy-1-oxo-isoindolin-2-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1-keto-6,7-dimethoxy-isoindolin-2-yl)phenyl]acrylic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C2=O)C3=CC=CC(=C3)C=CC(=O)O)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CN(C2=O)C3=CC=CC(=C3)/C=C/C(=O)O)C=C1)OC

InChI

InChI=1S/C19H17NO5/c1-24-15-8-7-13-11-20(19(23)17(13)18(15)25-2)14-5-3-4-12(10-14)6-9-16(21)22/h3-10H,11H2,1-2H3,(H,21,22)/b9-6+