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

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxidanylidene-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]ethanoate Openeye Name: ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetate CAS Name: 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-tert-butylphenyl)-5-methyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetate Traditional Name: 2-[2-(4-tert-butylphenyl)-7-keto-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetic acid ethyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC2=[N+](C1=O)NC(=C2)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)CC1=C(NC2=[N+](C1=O)NC(=C2)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H25N3O3/c1-6-27-19(25)11-16-13(2)22-18-12-17(23-24(18)20(16)26)14-7-9-15(10-8-14)21(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,22,23,26)/p+1