[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C18H16INO5 MolecularWeight: 453.22781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C18H16INO5/c19-13-2-1-3-14(9-13)20-17(21)10-23-18(22)7-5-12-4-6-15-16(8-12)25-11-24-15/h1-4,6,8-9H,5,7,10-11H2,(H,20,21)