(4-azido-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate

Systemtic Name: (4-azido-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate Openeye Name: (4-azido-6'-hydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) acetate CAS Name: acetic acid (4-azido-6'-hydroxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (4-azido-6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate Traditional Name: acetic acid (4-azido-6'-hydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C22H13N3O6 MolecularWeight: 415.35512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C(=CC=C4)N=[N+]=[N-])C(=O)O3)C5=C(O2)C=C(C=C5)O

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C(=CC=C4)N=[N+]=[N-])C(=O)O3)C5=C(O2)C=C(C=C5)O

InChI

InChI=1S/C22H13N3O6/c1-11(26)29-13-6-8-15-19(10-13)30-18-9-12(27)5-7-14(18)22(15)16-3-2-4-17(24-25-23)20(16)21(28)31-22/h2-10,27H,1H3