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

Systemtic Name: 2-[3-[2-(2-chlorophenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-8-yl]-1-methyl-pyrrolidin-2-yl]ethanenitrile Openeye Name: 2-[3-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-chromen-8-yl]-1-methyl-pyrrolidin-2-yl]acetonitrile CAS Name: 2-[3-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-8-yl]-1-methyl-2-pyrrolidinyl]acetonitrile IUPAC Name: 2-[3-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-1-methylpyrrolidin-2-yl]acetonitrile Traditional Name: 2-[3-[2-(2-chlorophenyl)-5,7-dihydroxy-4-keto-chromen-8-yl]-1-methyl-pyrrolidin-2-yl]acetonitrile Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1CC#N)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

Isomeric SMILES

CN1CCC(C1CC#N)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

InChI

InChI=1S/C22H19ClN2O4/c1-25-9-7-13(15(25)6-8-24)20-16(26)10-17(27)21-18(28)11-19(29-22(20)21)12-4-2-3-5-14(12)23/h2-5,10-11,13,15,26-27H,6-7,9H2,1H3