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

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-5-methyl-7-oxidanylidene-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]ethanoate Openeye Name: ethyl 2-[2-(4-bromophenyl)-5-methyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetate CAS Name: 2-[2-(4-bromophenyl)-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-bromophenyl)-5-methyl-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetate Traditional Name: 2-[2-(4-bromophenyl)-7-keto-5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl]acetic acid ethyl ester Formula: C17H17BrN3O3+ MolecularWeight: 391.23918

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O3/c1-3-24-16(22)8-13-10(2)19-15-9-14(20-21(15)17(13)23)11-4-6-12(18)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,19,20,23)/p+1