ethyl 2-[(4E)-5-(hydroxymethyl)-2-methyl-3-oxidanylidene-4-[(2-pyridin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(4E)-5-(hydroxymethyl)-2-methyl-3-oxidanylidene-4-[(2-pyridin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(4E)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[[2-(2-pyridyl)hydrazino]methylene]pyridin-1-ium-1-yl]acetate CAS Name: 2-[(4E)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyridinylhydrazo)methylidene]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyridin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[(4E)-3-keto-2-methyl-5-methylol-4-[[N'-(2-pyridyl)hydrazino]methylene]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H21N4O4+ MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C(=O)C(=CNNC2=CC=CC=N2)C(=C1)CO)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(C(=O)/C(=C/NNC2=CC=CC=N2)/C(=C1)CO)C

InChI

InChI=1S/C17H20N4O4/c1-3-25-16(23)10-21-9-13(11-22)14(17(24)12(21)2)8-19-20-15-6-4-5-7-18-15/h4-9,22,24H,3,10-11H2,1-2H3/p+1/b14-8+