[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C16H11IN2O3 MolecularWeight: 406.17461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=CC=C(C=C2)I

InChI

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