(E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(2-propoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(2-propoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(2-propoxyphenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(2-propoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(2-propoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-piperonyl-3-(2-propoxyphenyl)acrylamide Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20N2O4/c1-2-9-25-18-6-4-3-5-16(18)11-17(12-22)21(24)23-13-15-7-8-19-20(10-15)27-14-26-19/h3-8,10-11H,2,9,13-14H2,1H3,(H,23,24)/b17-11+