[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C16H9Br2ClN2O4 MolecularWeight: 488.51466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)C#N

InChI

InChI=1S/C16H9Br2ClN2O4/c17-9-3-11(15(23)12(18)4-9)16(24)25-7-14(22)21-13-5-10(19)2-1-8(13)6-20/h1-5,23H,7H2,(H,21,22)