(2-bromanyl-6-ethoxy-4-methanoyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-bromanyl-6-ethoxy-4-methanoyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-bromo-6-ethoxy-4-formyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-bromo-6-ethoxy-4-formylphenyl) ester IUPAC Name: (2-bromo-6-ethoxy-4-formylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-bromo-6-ethoxy-4-formyl-phenyl) ester Formula: C16H11BrN2O8 MolecularWeight: 439.17114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=O)Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=O)Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O8/c1-2-26-14-4-9(8-20)3-13(17)15(14)27-16(21)10-5-11(18(22)23)7-12(6-10)19(24)25/h3-8H,2H2,1H3