methyl (E)-2-cyano-3-[2-(2,4-dimethylphenoxy)-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-(2,4-dimethylphenoxy)-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-(2,4-dimethylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(2,4-dimethylphenoxy)-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-(2,4-dimethylphenoxy)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2,4-dimethylphenoxy)-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:

CC1=CC(=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)C=C(C#N)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C(=O)[N+]3=CC=CC(=C3N2)C)/C=C(\C#N)/C(=O)OC)C

InChI

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