7-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-3-nitro-2-oxidanyl-chromen-4-one

Systemtic Name: 7-[3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-3-nitro-2-oxidanyl-chromen-4-one Openeye Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-nitro-chromen-4-one CAS Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-nitro-1-benzopyran-4-one IUPAC Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-nitrochromen-4-one Traditional Name: 7-[3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-nitro-chromone Formula: C22H21NO10 MolecularWeight: 459.40284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])O

InChI

InChI=1S/C22H21NO10/c1-3-12-6-16(11(2)24)17(26)8-18(12)32-10-13(25)9-31-14-4-5-15-19(7-14)33-22(28)20(21(15)27)23(29)30/h4-8,13,25-26,28H,3,9-10H2,1-2H3