[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)COC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C18H18N2O6/c19-8-13(6-12-3-4-15-16(7-12)26-11-25-15)18(22)24-10-17(21)20-9-14-2-1-5-23-14/h3-4,6-7,14H,1-2,5,9-11H2,(H,20,21)/b13-6+