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

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C16H15BrN2O4 MolecularWeight: 379.2053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C16H15BrN2O4/c17-13-6-15-14(22-9-23-15)5-10(13)4-11(7-18)16(20)19-8-12-2-1-3-21-12/h4-6,12H,1-3,8-9H2,(H,19,20)/b11-4+