ethyl 4-ethoxy-3,5-dinitro-benzoate

Systemtic Name: ethyl 4-ethoxy-3,5-dinitro-benzoate Openeye Name: ethyl 4-ethoxy-3,5-dinitro-benzoate CAS Name: 4-ethoxy-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-ethoxy-3,5-dinitrobenzoate Traditional Name: 4-ethoxy-3,5-dinitro-benzoic acid ethyl ester Formula: C11H12N2O7 MolecularWeight: 284.22218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O7/c1-3-19-10-8(12(15)16)5-7(11(14)20-4-2)6-9(10)13(17)18/h5-6H,3-4H2,1-2H3