[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C18H16INO5 MolecularWeight: 453.22781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H16INO5/c1-11(25-18(22)13-3-2-4-14(19)8-13)17(21)20-9-12-5-6-15-16(7-12)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,20,21)