4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(2-dimethylphosphorylethoxy)-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(2-dimethylphosphorylethoxy)-7-methoxy-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(2-dimethylphosphorylethoxy)-7-methoxy-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(2-dimethylphosphorylethoxy)-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(2-dimethylphosphorylethoxy)-7-methoxyquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(2-dimethylphosphorylethoxy)-7-methoxy-quinoline-3-carbonitrile Formula: C21H20ClFN3O3P MolecularWeight: 447.826964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)OCCP(=O)(C)C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)OCCP(=O)(C)C

InChI

InChI=1S/C21H20ClFN3O3P/c1-28-19-10-18-15(9-20(19)29-6-7-30(2,3)27)21(13(11-24)12-25-18)26-14-4-5-17(23)16(22)8-14/h4-5,8-10,12H,6-7H2,1-3H3,(H,25,26)