3-ethanoyl-5,7-dinitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-ethanoyl-5,7-dinitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-acetyl-2-hydroxy-5,7-dinitro-cyclohepta-2,4,6-trien-1-one CAS Name: 3-acetyl-2-hydroxy-5,7-dinitro-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-acetyl-2-hydroxy-5,7-dinitrocyclohepta-2,4,6-trien-1-one Traditional Name: 3-acetyl-2-hydroxy-5,7-dinitro-cyclohepta-2,4,6-trien-1-one Formula: C9H6N2O7 MolecularWeight: 254.15314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O7/c1-4(12)6-2-5(10(15)16)3-7(11(17)18)9(14)8(6)13/h2-3H,1H3,(H,13,14)