[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H18N2O5/c1-13(20(24)22-16-4-2-3-15(9-16)11-21)27-19(23)8-6-14-5-7-17-18(10-14)26-12-25-17/h2-5,7,9-10,13H,6,8,12H2,1H3,(H,22,24)