[2-[(4-iodanyl-2-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-iodo-2-isopropyl-anilino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(4-iodo-2-isopropyl-anilino)-2-keto-ethyl] ester Formula: C19H18INO5 MolecularWeight: 467.25439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18INO5/c1-11(2)14-8-13(20)4-5-15(14)21-18(22)9-24-19(23)12-3-6-16-17(7-12)26-10-25-16/h3-8,11H,9-10H2,1-2H3,(H,21,22)