ethyl 3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: ethyl 3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate Openeye Name: ethyl 3-(4-hydroxy-3,5-dinitro-phenyl)propanoate CAS Name: 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate Traditional Name: 3-(4-hydroxy-3,5-dinitro-phenyl)propionic acid ethyl ester Formula: C11H12N2O7 MolecularWeight: 284.22218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

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