[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18INO3 MolecularWeight: 423.24489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CC=C2)I)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CC=C2)I)C

InChI

InChI=1S/C18H18INO3/c1-3-13-7-4-6-12(2)17(13)20-16(21)11-23-18(22)14-8-5-9-15(19)10-14/h4-10H,3,11H2,1-2H3,(H,20,21)