1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-butyl-6-ethyl-3,5-dinitro-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 1-butyl-6-ethyl-3,5-dinitrocyclohexa-2,4-diene-1-carboxylate Traditional Name: 1-butyl-6-ethyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate Formula: C13H17N2O6- MolecularWeight: 297.28388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C=C(C1CC)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1(C=C(C=C(C1CC)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H18N2O6/c1-3-5-6-13(12(16)17)8-9(14(18)19)7-11(15(20)21)10(13)4-2/h7-8,10H,3-6H2,1-2H3,(H,16,17)/p-1