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

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)-7-oxidanylidene-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]ethanoate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetate CAS Name: 2-[2-(4-methoxyphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetate Traditional Name: 2-[7-keto-2-(4-methoxyphenyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetic acid ethyl ester Formula: C17H18N3O4+ MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)[N+]2=C(N1)C=C(N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CC1=CC(=O)[N+]2=C(N1)C=C(N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H17N3O4/c1-3-24-17(22)9-12-8-16(21)20-15(18-12)10-14(19-20)11-4-6-13(23-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,18,19,21)/p+1