ethyl 2-(4-tert-butylphenyl)-7-oxidanylidene-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxylate

Systemtic Name: ethyl 2-(4-tert-butylphenyl)-7-oxidanylidene-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxylate Openeye Name: ethyl 2-(4-tert-butylphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxylate CAS Name: 2-(4-tert-butylphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butylphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-7-keto-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxylic acid ethyl ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=[N+](C1=O)NC(=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CNC2=[N+](C1=O)NC(=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H21N3O3/c1-5-25-18(24)14-11-20-16-10-15(21-22(16)17(14)23)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5H2,1-4H3,(H,20,21,23,24)/p+1