3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1-(4-fluorophenyl)-3-pyrazoline-3-carboxylic acid Formula: C24H27FN2O3 MolecularWeight: 410.481183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(NN2C3=CC=C(C=C3)F)C(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(NN2C3=CC=C(C=C3)F)C(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C24H27FN2O3/c1-23(2,3)17-11-14(12-18(21(17)28)24(4,5)6)20-13-19(22(29)30)26-27(20)16-9-7-15(25)8-10-16/h7-13,26H,1-6H3,(H,29,30)