(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-(2,6-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)acrylamide Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC#C)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC#C)/C#N

InChI

InChI=1S/C21H17BrN2O2/c1-4-10-26-19-9-8-18(22)12-16(19)11-17(13-23)21(25)24-20-14(2)6-5-7-15(20)3/h1,5-9,11-12H,10H2,2-3H3,(H,24,25)/b17-11+