3-(3,5-dinitro-4-oxidanidyl-phenyl)propanoate

Systemtic Name: 3-(3,5-dinitro-4-oxidanidyl-phenyl)propanoate Openeye Name: 3-(3,5-dinitro-4-oxido-phenyl)propanoate CAS Name: 3-(3,5-dinitro-4-oxidophenyl)propanoate IUPAC Name: 3-(3,5-dinitro-4-oxidophenyl)propanoate Traditional Name: 3-(3,5-dinitro-4-oxido-phenyl)propionate Formula: C9H6N2O7-2 MolecularWeight: 254.15314

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C9H8N2O7/c12-8(13)2-1-5-3-6(10(15)16)9(14)7(4-5)11(17)18/h3-4,14H,1-2H2,(H,12,13)/p-2