3-[1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-4-oxidanylidene-2,3-dihydropyridin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-4-oxidanylidene-2,3-dihydropyridin-2-yl]benzenecarbonitrile Openeye Name: 3-[1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-4-oxo-2,3-dihydropyridin-2-yl]benzonitrile CAS Name: 3-[1-[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]-4-oxo-2,3-dihydropyridin-2-yl]benzonitrile IUPAC Name: 3-[1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-oxo-2,3-dihydropyridin-2-yl]benzonitrile Traditional Name: 3-[1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-4-keto-2,3-dihydropyridin-2-yl]benzonitrile Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2C=CC(=O)CC2C3=CC=CC(=C3)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2C=CC(=O)CC2C3=CC=CC(=C3)C#N)Br)OC

InChI

InChI=1S/C22H19BrN2O4/c1-28-20-9-16(18(23)12-21(20)29-2)10-22(27)25-7-6-17(26)11-19(25)15-5-3-4-14(8-15)13-24/h3-9,12,19H,10-11H2,1-2H3