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

Systemtic Name: ethyl (E)-3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-cyano-acrylic acid ethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C20H17N3O5/c1-2-26-20(25)13(10-21)11-22-16-6-4-3-5-15(16)19(24)23-14-7-8-17-18(9-14)28-12-27-17/h3-9,11,22H,2,12H2,1H3,(H,23,24)/b13-11+