(1Z,3Z)-1-ethoxy-2-ethoxycarbonyl-4-[3-(methylamino)pyridin-1-ium-1-yl]-5-oxidanylidene-5-phenyl-penta-1,3-dien-1-olate

Systemtic Name: (1Z,3Z)-1-ethoxy-2-ethoxycarbonyl-4-[3-(methylamino)pyridin-1-ium-1-yl]-5-oxidanylidene-5-phenyl-penta-1,3-dien-1-olate Openeye Name: (1Z,3Z)-1-ethoxy-2-ethoxycarbonyl-4-[3-(methylamino)pyridin-1-ium-1-yl]-5-oxo-5-phenyl-penta-1,3-dien-1-olate CAS Name: (1Z,3Z)-1-ethoxy-2-ethoxycarbonyl-4-[3-(methylamino)-1-pyridin-1-iumyl]-5-oxo-5-phenyl-1-penta-1,3-dienolate IUPAC Name: (1Z,3Z)-1-ethoxy-2-ethoxycarbonyl-4-[3-(methylamino)pyridin-1-ium-1-yl]-5-oxo-5-phenylpenta-1,3-dien-1-olate Traditional Name: (1Z,3Z)-2-carbethoxy-1-ethoxy-5-keto-4-[3-(methylamino)pyridin-1-ium-1-yl]-5-phenyl-penta-1,3-dien-1-olate Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC(=C2)NC)C(=O)OCC)[O-]

Isomeric SMILES

CCO/C(=C(/C=C(/C(=O)C1=CC=CC=C1)\[N+]2=CC=CC(=C2)NC)\C(=O)OCC)/[O-]

InChI

InChI=1S/C22H24N2O5/c1-4-28-21(26)18(22(27)29-5-2)14-19(20(25)16-10-7-6-8-11-16)24-13-9-12-17(15-24)23-3/h6-15,23H,4-5H2,1-3H3