2-[6-[(3,5-dinitrophenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethyl-6-oxidanyl-pyran-4-one

Systemtic Name: 2-[6-[(3,5-dinitrophenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethyl-6-oxidanyl-pyran-4-one Openeye Name: 2-[6-[(3,5-dinitrophenyl)methoxy]benzofuran-2-yl]-6-hydroxy-3,5-dimethyl-pyran-4-one CAS Name: 2-[6-[(3,5-dinitrophenyl)methoxy]-2-benzofuranyl]-6-hydroxy-3,5-dimethyl-4-pyranone IUPAC Name: 2-[6-[(3,5-dinitrophenyl)methoxy]-1-benzofuran-2-yl]-6-hydroxy-3,5-dimethylpyran-4-one Traditional Name: 2-[6-(3,5-dinitrobenzyl)oxybenzofuran-2-yl]-6-hydroxy-3,5-dimethyl-pyran-4-one Formula: C22H16N2O9 MolecularWeight: 452.37044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=C(C=C3)OCC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=C(C=C3)OCC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O9/c1-11-20(25)12(2)22(26)33-21(11)19-7-14-3-4-17(9-18(14)32-19)31-10-13-5-15(23(27)28)8-16(6-13)24(29)30/h3-9,26H,10H2,1-2H3