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

Systemtic Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,4-dimethylphenyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylamide Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N)C

InChI

InChI=1S/C20H18N2O4/c1-12-4-5-16(6-13(12)2)22-20(23)15(10-21)7-14-8-17(24-3)19-18(9-14)25-11-26-19/h4-9H,11H2,1-3H3,(H,22,23)/b15-7+