dimethyl 2-pyridin-1-ium-1-ylbut-2-enedioate

Systemtic Name: dimethyl 2-pyridin-1-ium-1-ylbut-2-enedioate Openeye Name: dimethyl 2-pyridin-1-ium-1-ylbut-2-enedioate CAS Name: 2-(1-pyridin-1-iumyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-pyridin-1-ium-1-ylbut-2-enedioate Traditional Name: 2-pyridin-1-ium-1-ylbut-2-enedioic acid dimethyl ester Formula: C11H12NO4+ MolecularWeight: 222.21728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12NO4/c1-15-10(13)8-9(11(14)16-2)12-6-4-3-5-7-12/h3-8H,1-2H3/q+1