methyl 2-(4-oxidanylidene-3-phenyl-3,5-dihydropyrazol-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(4-oxidanylidene-3-phenyl-3,5-dihydropyrazol-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(4-oxo-3-phenyl-3,5-dihydropyrazol-1-ium-1-yl)acetate CAS Name: 2-(4-oxo-3-phenyl-3,5-dihydropyrazol-1-ium-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4-oxo-3-phenyl-3,5-dihydropyrazol-1-ium-1-yl)acetate Traditional Name: 2-(4-keto-3-phenyl-1-pyrazolin-1-ium-1-yl)acetic acid methyl ester Formula: C12H13N2O3+ MolecularWeight: 233.24322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=NC(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[N+]1=NC(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N2O3/c1-17-11(16)8-14-7-10(15)12(13-14)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3/q+1