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

Systemtic Name: 4-[8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-4-oxo-chromen-2-yl]-3-methyl-benzonitrile CAS Name: 4-[5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4-oxo-1-benzopyran-2-yl]-3-methylbenzonitrile IUPAC Name: 4-[5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-oxochromen-2-yl]-3-methylbenzonitrile Traditional Name: 4-[5,7-dihydroxy-4-keto-8-(1-methyl-2-methylol-pyrrolidin-3-yl)chromen-2-yl]-3-methyl-benzonitrile Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4CCN(C4CO)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4CCN(C4CO)C

InChI

InChI=1S/C23H22N2O5/c1-12-7-13(10-24)3-4-14(12)20-9-19(29)22-18(28)8-17(27)21(23(22)30-20)15-5-6-25(2)16(15)11-26/h3-4,7-9,15-16,26-28H,5-6,11H2,1-2H3