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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-iodanylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-iodobenzoate Traditional Name: 2-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=C2I

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC=CC=C2I

InChI

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