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

Systemtic Name: ethyl (E)-3-[2-(4-bromanylphenoxy)-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N=C2C=CC(=CN2C1=O)C)OC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N=C2C=CC(=CN2C1=O)C)OC3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H16BrN3O4/c1-3-28-21(27)14(11-23)10-17-19(29-16-7-5-15(22)6-8-16)24-18-9-4-13(2)12-25(18)20(17)26/h4-10,12H,3H2,1-2H3/b14-10+