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

Systemtic Name: ethyl (E)-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-keto-9-methyl-2-(3-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylic acid ethyl ester Formula: C22H20N3O4+ MolecularWeight: 390.4119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NC2=C(C=CC=[N+]2C1=O)C)OC3=CC=CC(=C3)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NC2=C(C=CC=[N+]2C1=O)C)OC3=CC=CC(=C3)C)/C#N

InChI

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