[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C21H24INO6 MolecularWeight: 513.32283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C21H24INO6/c1-4-26-17-10-14(11-18(27-5-2)20(17)28-6-3)21(25)29-13-19(24)23-16-9-7-8-15(22)12-16/h7-12H,4-6,13H2,1-3H3,(H,23,24)