(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-piperonyl-acrylamide Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)Br)OC

InChI

InChI=1S/C21H19BrN2O5/c1-3-27-19-9-14(7-16(22)20(19)26-2)6-15(10-23)21(25)24-11-13-4-5-17-18(8-13)29-12-28-17/h4-9H,3,11-12H2,1-2H3,(H,24,25)/b15-6+