5-azanyl-6-nitro-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 5-azanyl-6-nitro-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 5-amino-3',6'-dihydroxy-6-nitro-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 5-amino-3',6'-dihydroxy-6-nitro-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 5-amino-3',6'-dihydroxy-6-nitrospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 5-amino-3',6'-dihydroxy-6-nitro-spiro[phthalan-3,9'-xanthene]-1-one Formula: C20H12N2O7 MolecularWeight: 392.31848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C=C5C(=O)O4)[N+](=O)[O-])N)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C=C5C(=O)O4)[N+](=O)[O-])N)C=CC(=C3)O

InChI

InChI=1S/C20H12N2O7/c21-15-8-14-11(7-16(15)22(26)27)19(25)29-20(14)12-3-1-9(23)5-17(12)28-18-6-10(24)2-4-13(18)20/h1-8,23-24H,21H2