ethyl 4-(bromomethyl)-3,5-dinitro-benzoate

Systemtic Name: ethyl 4-(bromomethyl)-3,5-dinitro-benzoate Openeye Name: ethyl 4-(bromomethyl)-3,5-dinitro-benzoate CAS Name: 4-(bromomethyl)-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(bromomethyl)-3,5-dinitrobenzoate Traditional Name: 4-(bromomethyl)-3,5-dinitro-benzoic acid ethyl ester Formula: C10H9BrN2O6 MolecularWeight: 333.09226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])CBr)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])CBr)[N+](=O)[O-]

InChI

InChI=1S/C10H9BrN2O6/c1-2-19-10(14)6-3-8(12(15)16)7(5-11)9(4-6)13(17)18/h3-4H,2,5H2,1H3