3-(3,5-dinitro-4-oxidanyl-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: 3-(3,5-dinitro-4-oxidanyl-phenyl)-2-oxidanylidene-propanoate Openeye Name: 3-(4-hydroxy-3,5-dinitro-phenyl)-2-oxo-propanoate CAS Name: 3-(4-hydroxy-3,5-dinitrophenyl)-2-oxopropanoate IUPAC Name: 3-(4-hydroxy-3,5-dinitrophenyl)-2-oxopropanoate Traditional Name: 3-(4-hydroxy-3,5-dinitro-phenyl)-2-keto-propionate Formula: C9H5N2O8- MolecularWeight: 269.1446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O8/c12-7(9(14)15)3-4-1-5(10(16)17)8(13)6(2-4)11(18)19/h1-2,13H,3H2,(H,14,15)/p-1