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

Systemtic Name: ethyl 2-[5-methyl-2-(4-methylphenyl)-7-oxidanylidene-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]ethanoate Openeye Name: ethyl 2-[5-methyl-7-oxo-2-(p-tolyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetate CAS Name: 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetate Traditional Name: 2-[7-keto-5-methyl-2-(p-tolyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetic acid ethyl ester Formula: C18H20N3O3+ MolecularWeight: 326.3697

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-4-24-17(22)9-14-12(3)19-16-10-15(20-21(16)18(14)23)13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,19,20,23)/p+1