[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C18H17IN2O4 MolecularWeight: 452.24305

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C18H17IN2O4/c1-12(22)20-10-13-5-7-14(8-6-13)18(24)25-11-17(23)21-16-4-2-3-15(19)9-16/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)