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

Systemtic Name: ethyl 3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1-(4-fluorophenyl)-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C26H31FN2O3 MolecularWeight: 438.534343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N(N1)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N(N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H31FN2O3/c1-8-32-24(31)21-15-22(29(28-21)18-11-9-17(27)10-12-18)16-13-19(25(2,3)4)23(30)20(14-16)26(5,6)7/h9-15,28H,8H2,1-7H3