[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C16H14INO3 MolecularWeight: 395.19173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14INO3/c1-11-5-7-14(8-6-11)18-15(19)10-21-16(20)12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,18,19)