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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=C2C=CC(=O)C(=C2)O)NN1C3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C19H16ClFN2O4/c1-9(2)18-16(19(26)27)17(10-3-6-14(24)15(25)7-10)22-23(18)11-4-5-13(21)12(20)8-11/h3-9,22,25H,1-2H3,(H,26,27)