diethyl 2-[[(6-azanylpyridin-1-ium-2-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(6-azanylpyridin-1-ium-2-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(6-aminopyridin-1-ium-2-yl)amino]methylene]propanedioate CAS Name: 2-[[(6-amino-2-pyridin-1-iumyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-aminopyridin-1-ium-2-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(6-aminopyridin-1-ium-2-yl)amino]methylene]malonic acid diethyl ester Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC(=[NH+]1)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC=CC(=[NH+]1)N)C(=O)OCC

InChI

InChI=1S/C13H17N3O4/c1-3-19-12(17)9(13(18)20-4-2)8-15-11-7-5-6-10(14)16-11/h5-8H,3-4H2,1-2H3,(H3,14,15,16)/p+1