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

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-propyl-1H-pyrazole-4-carboxylic acid Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-5-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-propyl-1H-pyrazole-4-carboxylic acid CAS Name: 2-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-propyl-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-propyl-1H-pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-propyl-3-pyrazoline-4-carboxylic acid Formula: C19H16ClFN2O4 MolecularWeight: 390.792743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C19H16ClFN2O4/c1-2-3-14-17(19(26)27)18(10-4-7-15(24)16(25)8-10)22-23(14)11-5-6-13(21)12(20)9-11/h4-9,22,25H,2-3H2,1H3,(H,26,27)