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

Systemtic Name: methyl (E)-2-cyano-3-(4-oxidanylidene-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(4-oxo-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-keto-2-phenoxy-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)acrylic acid methyl ester Formula: C19H14N3O4+ MolecularWeight: 348.33216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O4/c1-25-19(24)13(12-20)11-15-17(26-14-7-3-2-4-8-14)21-16-9-5-6-10-22(16)18(15)23/h2-11H,1H3/p+1/b13-11+