9-[2-(dimethylamino)-5-nitro-phenyl]-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-[2-(dimethylamino)-5-nitro-phenyl]-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 9-[2-(dimethylamino)-5-nitro-phenyl]-2,6,7-trihydroxy-xanthen-3-one CAS Name: 9-[2-(dimethylamino)-5-nitrophenyl]-2,6,7-trihydroxy-3-xanthenone IUPAC Name: 9-[2-(dimethylamino)-5-nitrophenyl]-2,6,7-trihydroxyxanthen-3-one Traditional Name: 9-[2-(dimethylamino)-5-nitro-phenyl]-2,6,7-trihydroxy-fluorone Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

InChI

InChI=1S/C21H16N2O7/c1-22(2)14-4-3-10(23(28)29)5-11(14)21-12-6-15(24)17(26)8-19(12)30-20-9-18(27)16(25)7-13(20)21/h3-9,24-26H,1-2H3