(E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide CAS Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]acrylamide Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC3=C(C=C2Cl)OCO3)/C#N

InChI

InChI=1S/C20H17ClN2O4/c1-25-16-4-2-13(3-5-16)6-7-23-20(24)15(11-22)8-14-9-18-19(10-17(14)21)27-12-26-18/h2-5,8-10H,6-7,12H2,1H3,(H,23,24)/b15-8+