4-[8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile

Systemtic Name: 4-[8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile Openeye Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)-4-oxo-chromen-2-yl]benzonitrile CAS Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-4-oxo-1-benzopyran-2-yl]benzonitrile IUPAC Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-4-oxochromen-2-yl]benzonitrile Traditional Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)-4-keto-chromen-2-yl]benzonitrile Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)C#N)O)O

Isomeric SMILES

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)C#N)O)O

InChI

InChI=1S/C22H20N2O5/c1-24-7-6-14(18(28)11-24)20-15(25)8-16(26)21-17(27)9-19(29-22(20)21)13-4-2-12(10-23)3-5-13/h2-5,8-9,14,18,25-26,28H,6-7,11H2,1H3