ethyl 3-bromanyl-5-ethoxy-2,6-dinitro-benzoate

Systemtic Name: ethyl 3-bromanyl-5-ethoxy-2,6-dinitro-benzoate Openeye Name: ethyl 3-bromo-5-ethoxy-2,6-dinitro-benzoate CAS Name: 3-bromo-5-ethoxy-2,6-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-5-ethoxy-2,6-dinitrobenzoate Traditional Name: 3-bromo-5-ethoxy-2,6-dinitro-benzoic acid ethyl ester Formula: C11H11BrN2O7 MolecularWeight: 363.11824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC(=C(C(=C1[N+](=O)[O-])C(=O)OCC)[N+](=O)[O-])Br

InChI

InChI=1S/C11H11BrN2O7/c1-3-20-7-5-6(12)9(13(16)17)8(10(7)14(18)19)11(15)21-4-2/h5H,3-4H2,1-2H3