2-butyl-3-methyl-5,7-dinitro-cyclohepta[d]imidazol-6-one

Systemtic Name: 2-butyl-3-methyl-5,7-dinitro-cyclohepta[d]imidazol-6-one Openeye Name: 2-butyl-3-methyl-5,7-dinitro-cyclohepta[d]imidazol-6-one CAS Name: 2-butyl-3-methyl-5,7-dinitro-6-cyclohepta[d]imidazolone IUPAC Name: 2-butyl-3-methyl-5,7-dinitrocyclohepta[d]imidazol-6-one Traditional Name: 2-butyl-3-methyl-5,7-dinitro-cyclohept[d]imidazol-6-one Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5/c1-3-4-5-12-14-8-6-10(16(19)20)13(18)11(17(21)22)7-9(8)15(12)2/h6-7H,3-5H2,1-2H3