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

Systemtic Name: methyl (E)-2-cyano-3-[2-(3-methylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-(3-methylphenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(3-methylphenoxy)-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-(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-2-(3-methylphenoxy)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]acrylic acid methyl ester Formula: C20H16N3O4+ MolecularWeight: 362.35874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O4/c1-13-6-5-7-15(10-13)27-18-16(11-14(12-21)20(25)26-2)19(24)23-9-4-3-8-17(23)22-18/h3-11H,1-2H3/p+1/b14-11+