[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C22H20N2O5/c1-14(2)17-5-3-4-6-18(17)24-21(25)12-27-22(26)16(11-23)9-15-7-8-19-20(10-15)29-13-28-19/h3-10,14H,12-13H2,1-2H3,(H,24,25)