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

Systemtic Name: 4-[8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile Openeye Name: 4-[5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-4-oxo-chromen-2-yl]benzonitrile CAS Name: 4-[5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4-oxo-1-benzopyran-2-yl]benzonitrile IUPAC Name: 4-[5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-oxochromen-2-yl]benzonitrile Traditional Name: 4-[5,7-dihydroxy-4-keto-8-(1-methyl-2-methylol-pyrrolidin-3-yl)chromen-2-yl]benzonitrile Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)C#N)O)O

Isomeric SMILES

CN1CCC(C1CO)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(15(24)11-25)20-16(26)8-17(27)21-18(28)9-19(29-22(20)21)13-4-2-12(10-23)3-5-13/h2-5,8-9,14-15,25-27H,6-7,11H2,1H3