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

Systemtic Name: 3,5-dimethyl-2-[6-[(2-nitrophenyl)methoxy]-1-benzofuran-2-yl]-6-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3,5-dimethyl-6-[6-[(2-nitrophenyl)methoxy]benzofuran-2-yl]pyran-4-one CAS Name: 2-hydroxy-3,5-dimethyl-6-[6-[(2-nitrophenyl)methoxy]-2-benzofuranyl]-4-pyranone IUPAC Name: 2-hydroxy-3,5-dimethyl-6-[6-[(2-nitrophenyl)methoxy]-1-benzofuran-2-yl]pyran-4-one Traditional Name: 2-hydroxy-3,5-dimethyl-6-[6-(2-nitrobenzyl)oxybenzofuran-2-yl]pyran-4-one Formula: C22H17NO7 MolecularWeight: 407.37288

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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-]

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-]

InChI

InChI=1S/C22H17NO7/c1-12-20(24)13(2)22(25)30-21(12)19-9-14-7-8-16(10-18(14)29-19)28-11-15-5-3-4-6-17(15)23(26)27/h3-10,25H,11H2,1-2H3