6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-methyl-3,5-dinitro-1-pentyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-methyl-3,5-dinitro-1-pentyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-methyl-3,5-dinitro-1-pentylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 1-amyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylate Formula: C13H17N2O6- MolecularWeight: 297.28388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

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