(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-N-(3-methoxyphenyl)acrylamide Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC=C)OC)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)OCC=C)OC)/C#N

InChI

InChI=1S/C21H19BrN2O4/c1-4-8-28-20-18(22)10-14(11-19(20)27-3)9-15(13-23)21(25)24-16-6-5-7-17(12-16)26-2/h4-7,9-12H,1,8H2,2-3H3,(H,24,25)/b15-9+