[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO6/c1-9-2-3-10(6-13(9)18(22)23)15(20)8-24-16(21)12-7-11(17)4-5-14(12)19/h2-7,19H,8H2,1H3