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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H12BrN3O3 MolecularWeight: 410.22088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C#N

InChI

InChI=1S/C19H12BrN3O3/c20-15-6-7-17-22-16(9-18(24)23(17)11-15)12-26-19(25)8-5-13-1-3-14(10-21)4-2-13/h1-9,11H,12H2/b8-5+