ethyl (E)-3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(piperonylcarbamoyl)anilino]acrylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C21H19N3O5/c1-2-27-21(26)15(10-22)12-23-17-6-4-3-5-16(17)20(25)24-11-14-7-8-18-19(9-14)29-13-28-18/h3-9,12,23H,2,11,13H2,1H3,(H,24,25)/b15-12+