[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-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)I)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

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