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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acrylamide Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCO3)Br)O

InChI

InChI=1S/C19H15BrN2O5/c1-2-25-17-7-11(6-14(20)18(17)23)5-12(9-21)19(24)22-13-3-4-15-16(8-13)27-10-26-15/h3-8,23H,2,10H2,1H3,(H,22,24)/b12-5+