[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H11IN2O3 MolecularWeight: 406.17461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)C#N

InChI

InChI=1S/C16H11IN2O3/c17-13-5-2-6-14(8-13)19-15(20)10-22-16(21)12-4-1-3-11(7-12)9-18/h1-8H,10H2,(H,19,20)