ethyl 3,5-bis(bromanyl)-2,6-dinitro-benzoate

Systemtic Name: ethyl 3,5-bis(bromanyl)-2,6-dinitro-benzoate Openeye Name: ethyl 3,5-dibromo-2,6-dinitro-benzoate CAS Name: 3,5-dibromo-2,6-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 3,5-dibromo-2,6-dinitrobenzoate Traditional Name: 3,5-dibromo-2,6-dinitro-benzoic acid ethyl ester Formula: C9H6Br2N2O6 MolecularWeight: 397.96174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6Br2N2O6/c1-2-19-9(14)6-7(12(15)16)4(10)3-5(11)8(6)13(17)18/h3H,2H2,1H3