[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dinitro-benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-bromo-3,5-dinitro-benzoate CAS Name: 4-bromo-3,5-dinitrobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-bromo-3,5-dinitrobenzoate Traditional Name: 4-bromo-3,5-dinitro-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C16H11BrN2O7 MolecularWeight: 423.17174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O7/c1-9-2-4-10(5-3-9)14(20)8-26-16(21)11-6-12(18(22)23)15(17)13(7-11)19(24)25/h2-7H,8H2,1H3