3-[[2-(1,3-benzodioxol-5-yl)-3,5-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-yl)-3,5-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxymethyl]benzenecarbonitrile Openeye Name: 3-[[2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-4-oxo-chromen-7-yl]oxymethyl]benzonitrile CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-4-oxo-1-benzopyran-7-yl]oxymethyl]benzonitrile IUPAC Name: 3-[[2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl]benzonitrile Traditional Name: 3-[[2-(1,3-benzodioxol-5-yl)-3,5-dihydroxy-4-keto-chromen-7-yl]oxymethyl]benzonitrile Formula: C24H15NO7 MolecularWeight: 429.3784

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OCC5=CC=CC(=C5)C#N)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OCC5=CC=CC(=C5)C#N)O)O

InChI

InChI=1S/C24H15NO7/c25-10-13-2-1-3-14(6-13)11-29-16-8-17(26)21-20(9-16)32-24(23(28)22(21)27)15-4-5-18-19(7-15)31-12-30-18/h1-9,26,28H,11-12H2