5-butan-2-yl-1,3-dinitro-cyclohexa-1,3-diene

Systemtic Name: 5-butan-2-yl-1,3-dinitro-cyclohexa-1,3-diene Openeye Name: 1,3-dinitro-5-sec-butyl-cyclohexa-1,3-diene CAS Name: 5-butan-2-yl-1,3-dinitrocyclohexa-1,3-diene IUPAC Name: 5-butan-2-yl-1,3-dinitrocyclohexa-1,3-diene Traditional Name: 1,3-dinitro-5-sec-butyl-cyclohexa-1,3-diene Formula: C10H14N2O4 MolecularWeight: 226.22916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O4/c1-3-7(2)8-4-9(11(13)14)6-10(5-8)12(15)16/h4,6-8H,3,5H2,1-2H3