[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C16H9ClI3N3O3 MolecularWeight: 707.42737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)C2=C(C(=C(C=C2I)I)N)I)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)C2=C(C(=C(C=C2I)I)N)I)C#N

InChI

InChI=1S/C16H9ClI3N3O3/c17-8-2-1-7(5-21)11(3-8)23-12(24)6-26-16(25)13-9(18)4-10(19)15(22)14(13)20/h1-4H,6,22H2,(H,23,24)