4-chloranyl-3-[4-chloranyl-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-fluoranyl-phenyl]-2-cyano-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 4-chloranyl-3-[4-chloranyl-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-fluoranyl-phenyl]-2-cyano-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-chloro-3-[4-chloro-5-(2-ethoxy-1-methyl-2-oxo-ethyl)-2-fluoro-phenyl]-2-cyano-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-chloro-3-[4-chloro-5-(1-ethoxy-1-oxopropan-2-yl)-2-fluorophenyl]-2-cyano-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-chloro-3-[4-chloro-5-(1-ethoxy-1-oxopropan-2-yl)-2-fluorophenyl]-2-cyanocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-chloro-3-[4-chloro-5-(2-ethoxy-2-keto-1-methyl-ethyl)-2-fluoro-phenyl]-2-cyano-cyclohexa-1,3-diene-1-carboxylic acid Formula: C19H16Cl2FNO4 MolecularWeight: 412.239043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C=C(C(=C1)C2=C(CCC(=C2C#N)C(=O)O)Cl)F)Cl

Isomeric SMILES

CCOC(=O)C(C)C1=C(C=C(C(=C1)C2=C(CCC(=C2C#N)C(=O)O)Cl)F)Cl

InChI

InChI=1S/C19H16Cl2FNO4/c1-3-27-19(26)9(2)11-6-12(16(22)7-15(11)21)17-13(8-23)10(18(24)25)4-5-14(17)20/h6-7,9H,3-5H2,1-2H3,(H,24,25)