methyl (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: methyl (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: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C22H20N3O4+ MolecularWeight: 390.4119

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4/c1-4-15-7-9-17(10-8-15)29-20-18(12-16(13-23)22(27)28-3)21(26)25-11-5-6-14(2)19(25)24-20/h5-12H,4H2,1-3H3/p+1/b16-12+