1-(3,4-dinitrophenyl)-2-ethanoyl-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: 1-(3,4-dinitrophenyl)-2-ethanoyl-3-oxidanylidene-but-1-en-1-olate Openeye Name: 2-acetyl-1-(3,4-dinitrophenyl)-3-oxo-but-1-en-1-olate CAS Name: 2-acetyl-1-(3,4-dinitrophenyl)-3-oxo-1-buten-1-olate IUPAC Name: 2-acetyl-1-(3,4-dinitrophenyl)-3-oxobut-1-en-1-olate Traditional Name: 2-acetyl-1-(3,4-dinitrophenyl)-3-keto-but-1-en-1-olate Formula: C12H9N2O7- MolecularWeight: 293.20906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O7/c1-6(15)11(7(2)16)12(17)8-3-4-9(13(18)19)10(5-8)14(20)21/h3-5,17H,1-2H3/p-1