(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-N-piperonyl-acrylamide Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)Br)O

InChI

InChI=1S/C20H17BrN2O5/c1-2-26-18-8-13(6-15(21)19(18)24)5-14(9-22)20(25)23-10-12-3-4-16-17(7-12)28-11-27-16/h3-8,24H,2,10-11H2,1H3,(H,23,25)/b14-5+