[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)I)C

InChI

InChI=1S/C17H16INO3/c1-11-6-12(2)8-15(7-11)19-16(20)10-22-17(21)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,20)