(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-cyano-N-phenethyl-acrylamide Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NCCC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)O

InChI

InChI=1S/C19H17BrN2O3/c1-25-18-11-16(20)14(10-17(18)23)9-15(12-21)19(24)22-8-7-13-5-3-2-4-6-13/h2-6,9-11,23H,7-8H2,1H3,(H,22,24)/b15-9+