7-azanyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one; prop-2-enamide

Systemtic Name: 7-azanyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one; prop-2-enamide Openeye Name: 7-amino-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one; prop-2-enamide CAS Name: 7-amino-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one; 2-propenamide IUPAC Name: 7-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one; prop-2-enamide Traditional Name: acrylamide; 7-amino-3',6'-dihydroxy-spiro[phthalan-3,9'-xanthene]-1-one Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N.C1=CC2=C(C(=C1)N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Isomeric SMILES

C=CC(=O)N.C1=CC2=C(C(=C1)N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C20H13NO5.C3H5NO/c21-15-3-1-2-14-18(15)19(24)26-20(14)12-6-4-10(22)8-16(12)25-17-9-11(23)5-7-13(17)20;1-2-3(4)5/h1-9,22-23H,21H2;2H,1H2,(H2,4,5)