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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C15H10Br2N2O6 MolecularWeight: 474.0577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H10Br2N2O6/c16-8-5-11(14(21)12(17)6-8)15(22)25-7-13(20)18-9-1-3-10(4-2-9)19(23)24/h1-6,21H,7H2,(H,18,20)