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

Systemtic Name: (E)-3-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C18H16BrN3O3 MolecularWeight: 402.24194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-2-25-17-7-13(15(19)8-16(17)23)6-14(9-20)18(24)22-11-12-4-3-5-21-10-12/h3-8,10,23H,2,11H2,1H3,(H,22,24)/b14-6+