(1Z,3Z)-4-(3-azanylpyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxidanylidene-penta-1,3-dien-1-olate

Systemtic Name: (1Z,3Z)-4-(3-azanylpyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxidanylidene-penta-1,3-dien-1-olate Openeye Name: (1Z,3Z)-4-(3-aminopyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxo-penta-1,3-dien-1-olate CAS Name: (1Z,3Z)-4-(3-amino-1-pyridin-1-iumyl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxo-1-penta-1,3-dienolate IUPAC Name: (1Z,3Z)-4-(3-aminopyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxopenta-1,3-dien-1-olate Traditional Name: (1Z,3Z)-4-(3-aminopyridin-1-ium-1-yl)-2-carbethoxy-1,5-diethoxy-5-keto-penta-1,3-dien-1-olate Formula: C17H22N2O6 MolecularWeight: 350.36638

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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

CCO/C(=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