4-[(E)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(3-chloro-4-fluoro-anilino)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(3-chloro-4-fluoro-anilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C17H10ClFN2O3 MolecularWeight: 344.724303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C17H10ClFN2O3/c18-14-8-13(5-6-15(14)19)21-16(22)12(9-20)7-10-1-3-11(4-2-10)17(23)24/h1-8H,(H,21,22)(H,23,24)/b12-7+