1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylate

Systemtic Name: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylate Openeye Name: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylate CAS Name: 1-butyl-5-methyl-3,5-dinitro-1-cyclohex-2-enecarboxylate IUPAC Name: 1-butyl-5-methyl-3,5-dinitrocyclohex-2-ene-1-carboxylate Traditional Name: 1-butyl-5-methyl-3,5-dinitro-cyclohex-2-ene-1-carboxylate Formula: C12H17N2O6- MolecularWeight: 285.27318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(CC(=C1)[N+](=O)[O-])(C)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1(CC(CC(=C1)[N+](=O)[O-])(C)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H18N2O6/c1-3-4-5-12(10(15)16)7-9(13(17)18)6-11(2,8-12)14(19)20/h7H,3-6,8H2,1-2H3,(H,15,16)/p-1