(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(pyridin-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(pyridin-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(pyridin-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-pyridylmethyl)acrylamide Formula: C17H12BrN3O3 MolecularWeight: 386.19948

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCC3=CC=CC=N3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NCC3=CC=CC=N3)Br

InChI

InChI=1S/C17H12BrN3O3/c18-14-7-16-15(23-10-24-16)6-11(14)5-12(8-19)17(22)21-9-13-3-1-2-4-20-13/h1-7H,9-10H2,(H,21,22)/b12-5+