[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H15ClINO5 MolecularWeight: 475.66217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)Cl)OC

InChI

InChI=1S/C17H15ClINO5/c1-23-14-7-10(6-13(18)16(14)24-2)17(22)25-9-15(21)20-12-5-3-4-11(19)8-12/h3-8H,9H2,1-2H3,(H,20,21)