ethyl (E)-2-cyano-3-[2-(4-ethylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-(4-ethylphenoxy)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(4-ethylphenoxy)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylic acid ethyl ester Formula: C23H22N3O4+ MolecularWeight: 404.43848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C23H21N3O4/c1-4-16-8-10-18(11-9-16)30-21-19(13-17(14-24)23(28)29-5-2)22(27)26-12-6-7-15(3)20(26)25-21/h6-13H,4-5H2,1-3H3/p+1/b17-13+