[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-iodanylbenzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C16H14INO3 MolecularWeight: 395.19173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H14INO3/c17-14-8-6-13(7-9-14)16(20)21-11-15(19)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)