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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-14(2)17-9-8-15(3)11-19(17)30-21-18(12-16(13-24)23(28)29-4)22(27)26-10-6-5-7-20(26)25-21/h5-12,14H,1-4H3/p+1/b16-12+