[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C

InChI

InChI=1S/C20H20ClNO5/c1-10-5-11(2)17(12(3)6-10)22-19(23)13(4)27-20(24)14-7-15(21)18-16(8-14)25-9-26-18/h5-8,13H,9H2,1-4H3,(H,22,23)