[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H12Br2N2O6 MolecularWeight: 488.08428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C16H12Br2N2O6/c1-8(15(22)19-10-3-2-4-11(7-10)20(24)25)26-16(23)12-5-9(17)6-13(18)14(12)21/h2-8,21H,1H3,(H,19,22)