[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-iodanylbenzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-iodanylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C19H17IN2O3 MolecularWeight: 448.25435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C19H17IN2O3/c1-14(25-19(24)16-10-5-6-11-17(16)20)18(23)22(13-7-12-21)15-8-3-2-4-9-15/h2-6,8-11,14H,7,13H2,1H3