(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxypropyl)-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(3-ethoxypropyl)acrylamide Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=CC1=CC2=C(C(=C1)Br)OCO2)C#N

Isomeric SMILES

CCOCCCNC(=O)/C(=C/C1=CC2=C(C(=C1)Br)OCO2)/C#N

InChI

InChI=1S/C16H17BrN2O4/c1-2-21-5-3-4-19-16(20)12(9-18)6-11-7-13(17)15-14(8-11)22-10-23-15/h6-8H,2-5,10H2,1H3,(H,19,20)/b12-6+