(E)-6-(3,5-dinitro-4-oxidanyl-phenyl)hex-5-ene-2,4-dione

Systemtic Name: (E)-6-(3,5-dinitro-4-oxidanyl-phenyl)hex-5-ene-2,4-dione Openeye Name: (E)-6-(4-hydroxy-3,5-dinitro-phenyl)hex-5-ene-2,4-dione CAS Name: (E)-6-(4-hydroxy-3,5-dinitrophenyl)-5-hexene-2,4-dione IUPAC Name: (E)-6-(4-hydroxy-3,5-dinitrophenyl)hex-5-ene-2,4-dione Traditional Name: (E)-6-(4-hydroxy-3,5-dinitro-phenyl)hex-5-ene-2,4-dione Formula: C12H10N2O7 MolecularWeight: 294.217

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C=CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O7/c1-7(15)4-9(16)3-2-8-5-10(13(18)19)12(17)11(6-8)14(20)21/h2-3,5-6,17H,4H2,1H3/b3-2+