1-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-hydroxy-5-methoxy-benzoyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-hydroxy-5-methoxy-benzoyl)-2-keto-nicotinonitrile Formula: C21H12ClF3N2O4 MolecularWeight: 448.77919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H12ClF3N2O4/c1-31-14-3-5-18(28)15(8-14)19(29)12-6-11(9-26)20(30)27(10-12)17-7-13(21(23,24)25)2-4-16(17)22/h2-8,10,28H,1H3