methyl (E)-3-[2-(4-bromanylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(4-bromanylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[2-(4-bromophenoxy)-7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(4-bromophenoxy)-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(4-bromophenoxy)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(4-bromophenoxy)-4-keto-7-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylic acid methyl ester Formula: C20H14BrN3O4 MolecularWeight: 440.24686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C(C2=O)C=C(C#N)C(=O)OC)OC3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C(C2=O)/C=C(\C#N)/C(=O)OC)OC3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C20H14BrN3O4/c1-12-3-8-17-23-18(28-15-6-4-14(21)5-7-15)16(19(25)24(17)11-12)9-13(10-22)20(26)27-2/h3-9,11H,1-2H3/b13-9+