(E)-N-(4-acetamidophenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(4-acetamidophenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylamide Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N

InChI

InChI=1S/C20H17N3O5/c1-12(24)22-15-3-5-16(6-4-15)23-20(25)14(10-21)7-13-8-17(26-2)19-18(9-13)27-11-28-19/h3-9H,11H2,1-2H3,(H,22,24)(H,23,25)/b14-7+