methyl (E)-2-cyano-3-[2-(2,4-dimethylphenoxy)-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)-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)-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)-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)-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-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylic acid methyl ester Formula: C21H18N3O4+ MolecularWeight: 376.38532

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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#N)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-13-7-8-17(14(2)10-13)28-19-16(11-15(12-22)21(26)27-3)20(25)24-9-5-4-6-18(24)23-19/h4-11H,1-3H3/p+1/b15-11+