[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C16H11IN2O4 MolecularWeight: 422.17401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11IN2O4/c17-11-3-6-14(20)13(7-11)16(22)23-9-15(21)19-12-4-1-10(8-18)2-5-12/h1-7,20H,9H2,(H,19,21)