[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H13IN2O3 MolecularWeight: 420.20119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C17H13IN2O3/c18-14-6-4-5-13(11-14)17(22)23-12-16(21)20(10-9-19)15-7-2-1-3-8-15/h1-8,11H,10,12H2