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

Systemtic Name: 3-methyl-5,7-dinitro-2-propyl-cyclohepta[d]imidazol-6-one Openeye Name: 3-methyl-5,7-dinitro-2-propyl-cyclohepta[d]imidazol-6-one CAS Name: 3-methyl-5,7-dinitro-2-propyl-6-cyclohepta[d]imidazolone IUPAC Name: 3-methyl-5,7-dinitro-2-propylcyclohepta[d]imidazol-6-one Traditional Name: 3-methyl-5,7-dinitro-2-propyl-cyclohept[d]imidazol-6-one Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5/c1-3-4-11-13-7-5-9(15(18)19)12(17)10(16(20)21)6-8(7)14(11)2/h5-6H,3-4H2,1-2H3