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

Systemtic Name: ethyl 2-(5-methyl-7-oxidanylidene-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)ethanoate Openeye Name: ethyl 2-(5-methyl-7-oxo-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetate CAS Name: 2-(5-methyl-7-oxo-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-methyl-7-oxo-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetate Traditional Name: 2-(7-keto-5-methyl-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetic acid ethyl ester Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-3-23-16(21)9-13-11(2)18-15-10-14(19-20(15)17(13)22)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,18,19,22)/p+1