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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-N-benzyl-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-N-benzyl-2-cyano-acrylamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Br)OCC=C

InChI

InChI=1S/C21H19BrN2O3/c1-3-9-27-20-18(22)11-16(12-19(20)26-2)10-17(13-23)21(25)24-14-15-7-5-4-6-8-15/h3-8,10-12H,1,9,14H2,2H3,(H,24,25)/b17-10+