[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H26INO6 MolecularWeight: 527.34941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26INO6/c1-5-27-18-11-15(12-19(28-6-2)21(18)29-7-3)22(26)30-13-20(25)24-17-9-8-16(23)10-14(17)4/h8-12H,5-7,13H2,1-4H3,(H,24,25)