diethyl (Z)-2-(3-azanylpyridin-1-ium-1-yl)-4-[ethoxy(oxidanyl)methylidene]pent-2-enedioate

Systemtic Name: diethyl (Z)-2-(3-azanylpyridin-1-ium-1-yl)-4-[ethoxy(oxidanyl)methylidene]pent-2-enedioate Openeye Name: diethyl (Z)-2-(3-aminopyridin-1-ium-1-yl)-4-[ethoxy(hydroxy)methylene]pent-2-enedioate CAS Name: (Z)-2-(3-amino-1-pyridin-1-iumyl)-4-[ethoxy(hydroxy)methylidene]-2-pentenedioic acid diethyl ester IUPAC Name: diethyl (Z)-2-(3-aminopyridin-1-ium-1-yl)-4-[ethoxy(hydroxy)methylidene]pent-2-enedioate Traditional Name: (Z)-2-(3-aminopyridin-1-ium-1-yl)-4-[ethoxy(hydroxy)methylene]pent-2-enedioic acid diethyl ester Formula: C17H23N2O6+ MolecularWeight: 351.37432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=C(C(=O)OCC)[N+]1=CC=CC(=C1)N)C(=O)OCC)O

Isomeric SMILES

CCOC(=C(/C=C(/C(=O)OCC)\[N+]1=CC=CC(=C1)N)C(=O)OCC)O

InChI

InChI=1S/C17H22N2O6/c1-4-23-15(20)13(16(21)24-5-2)10-14(17(22)25-6-3)19-9-7-8-12(18)11-19/h7-11H,4-6,18H2,1-3H3/p+1