[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO5/c1-11(2)12-3-5-13(6-4-12)17(21)10-25-18(22)14-7-8-15(19)16(9-14)20(23)24/h3-9,11H,10H2,1-2H3