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

Systemtic Name: 3-chloranyl-4-[8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile hydrochloride Openeye Name: 3-chloro-4-[5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-4-oxo-chromen-2-yl]benzonitrile hydrochloride CAS Name: 3-chloro-4-[5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4-oxo-1-benzopyran-2-yl]benzonitrile hydrochloride IUPAC Name: 3-chloro-4-[5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-oxochromen-2-yl]benzonitrile hydrochloride Traditional Name: 3-chloro-4-[5,7-dihydroxy-4-keto-8-[(2S,3R)-1-methyl-2-methylol-pyrrolidin-3-yl]chromen-2-yl]benzonitrile hydrochloride Formula: C22H20Cl2N2O5 MolecularWeight: 463.3106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CC[C@@H]([C@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C#N)Cl)O)O.Cl

InChI

InChI=1S/C22H19ClN2O5.ClH/c1-25-5-4-13(15(25)10-26)20-16(27)7-17(28)21-18(29)8-19(30-22(20)21)12-3-2-11(9-24)6-14(12)23;/h2-3,6-8,13,15,26-28H,4-5,10H2,1H3;1H/t13-,15+;/m0./s1