3',6'-bis(azanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',6'-bis(azanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-diamino-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-diamino-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-diamino-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-diamino-3-keto-spiro[phthalan-1,9'-xanthene]-5-carboxylic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)N)OC5=C3C=CC(=C5)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)N)OC5=C3C=CC(=C5)N

InChI

InChI=1S/C21H14N2O5/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9H,22-23H2,(H,24,25)