ethyl (E)-2-cyano-3-[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-[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-[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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H18N3O4+ MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-3-27-21(26)15(13-22)12-17-19(28-16-8-6-7-14(2)11-16)23-18-9-4-5-10-24(18)20(17)25/h4-12H,3H2,1-2H3/p+1/b15-12+