2-(3-chloranyl-4-fluoranyl-phenyl)-3-ethyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-3-ethyl-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-3-ethyl-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid CAS Name: 2-(3-chloro-4-fluorophenyl)-3-ethyl-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(3-chloro-4-fluorophenyl)-3-ethyl-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-ethyl-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-pyrazoline-4-carboxylic acid Formula: C18H14ClFN2O4 MolecularWeight: 376.766163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C18H14ClFN2O4/c1-2-13-16(18(25)26)17(9-3-6-14(23)15(24)7-9)21-22(13)10-4-5-12(20)11(19)8-10/h3-8,21,24H,2H2,1H3,(H,25,26)