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

Systemtic Name: methyl (E)-3-[2-(4-bromanylphenoxy)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[2-(4-bromophenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(4-bromophenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(4-bromophenoxy)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(4-bromophenoxy)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-2-cyano-acrylic acid methyl ester Formula: C19H13BrN3O4+ MolecularWeight: 427.22822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O4/c1-26-19(25)12(11-21)10-15-17(27-14-7-5-13(20)6-8-14)22-16-4-2-3-9-23(16)18(15)24/h2-10H,1H3/p+1/b12-10+