(E)-3-[[4-(1,3-benzodioxol-5-yloxy)phenyl]amino]-2-cyclopropylcarbonyl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-[[4-(1,3-benzodioxol-5-yloxy)phenyl]amino]-2-cyclopropylcarbonyl-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-yloxy)anilino]-2-(cyclopropanecarbonyl)-3-hydroxy-prop-2-enenitrile CAS Name: (E)-3-[4-(1,3-benzodioxol-5-yloxy)anilino]-2-[cyclopropyl(oxo)methyl]-3-hydroxy-2-propenenitrile IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-yloxy)anilino]-2-(cyclopropanecarbonyl)-3-hydroxyprop-2-enenitrile Traditional Name: (E)-3-[4-(1,3-benzodioxol-5-yloxy)anilino]-2-(cyclopropanecarbonyl)-3-hydroxy-acrylonitrile Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(=C(NC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)O)C#N

Isomeric SMILES

C1CC1C(=O)/C(=C(\NC2=CC=C(C=C2)OC3=CC4=C(C=C3)OCO4)/O)/C#N

InChI

InChI=1S/C20H16N2O5/c21-10-16(19(23)12-1-2-12)20(24)22-13-3-5-14(6-4-13)27-15-7-8-17-18(9-15)26-11-25-17/h3-9,12,22,24H,1-2,11H2/b20-16+