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

Systemtic Name: ethyl 3,5-dinitro-4-oxidanyl-benzoate Openeye Name: ethyl 4-hydroxy-3,5-dinitro-benzoate CAS Name: 4-hydroxy-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3,5-dinitrobenzoate Traditional Name: 4-hydroxy-3,5-dinitro-benzoic acid ethyl ester Formula: C9H8N2O7 MolecularWeight: 256.16902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O7/c1-2-18-9(13)5-3-6(10(14)15)8(12)7(4-5)11(16)17/h3-4,12H,2H2,1H3