3-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-1-oxidanyl-xanthen-9-one

Systemtic Name: 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethoxy]-1-oxidanyl-xanthen-9-one Openeye Name: 1-hydroxy-3-[2-(3-nitrophenyl)-2-oxo-ethoxy]xanthen-9-one CAS Name: 1-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethoxy]-9-xanthenone IUPAC Name: 1-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethoxy]xanthen-9-one Traditional Name: 1-hydroxy-3-[2-keto-2-(3-nitrophenyl)ethoxy]xanthone Formula: C21H13NO7 MolecularWeight: 391.33042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H13NO7/c23-16-9-14(28-11-17(24)12-4-3-5-13(8-12)22(26)27)10-19-20(16)21(25)15-6-1-2-7-18(15)29-19/h1-10,23H,11H2