methyl 2-(2,5-dimethyl-7-oxidanylidene-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)ethanoate

Systemtic Name: methyl 2-(2,5-dimethyl-7-oxidanylidene-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)ethanoate Openeye Name: methyl 2-(2,5-dimethyl-7-oxo-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetate CAS Name: 2-(2,5-dimethyl-7-oxo-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2,5-dimethyl-7-oxo-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetate Traditional Name: 2-(7-keto-2,5-dimethyl-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-yl)acetic acid methyl ester Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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