[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H9Br2N3O6 MolecularWeight: 499.06716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C16H9Br2N3O6/c17-9-4-11(15(23)12(18)5-9)16(24)27-7-14(22)20-13-2-1-10(21(25)26)3-8(13)6-19/h1-5,23H,7H2,(H,20,22)