8-[[(5-chloranyl-2,4-dimethoxy-phenyl)amino]methyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride

Systemtic Name: 8-[[(5-chloranyl-2,4-dimethoxy-phenyl)amino]methyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride Openeye Name: 8-[(5-chloro-2,4-dimethoxy-anilino)methyl]-7-hydroxy-4-phenyl-chromen-2-one hydrochloride CAS Name: 8-[(5-chloro-2,4-dimethoxyanilino)methyl]-7-hydroxy-4-phenyl-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[(5-chloro-2,4-dimethoxyanilino)methyl]-7-hydroxy-4-phenylchromen-2-one hydrochloride Traditional Name: 8-[(5-chloro-2,4-dimethoxy-anilino)methyl]-7-hydroxy-4-phenyl-coumarin hydrochloride Formula: C24H21Cl2NO5 MolecularWeight: 474.33324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NCC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O)Cl)OC.Cl

Isomeric SMILES

COC1=CC(=C(C=C1NCC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O)Cl)OC.Cl

InChI

InChI=1S/C24H20ClNO5.ClH/c1-29-21-12-22(30-2)19(11-18(21)25)26-13-17-20(27)9-8-15-16(10-23(28)31-24(15)17)14-6-4-3-5-7-14;/h3-12,26-27H,13H2,1-2H3;1H