1-[(E)-1-(2-methyl-5-nitro-2-oxidanyl-5-propyl-cyclohexyl)ethylideneamino]urea

Systemtic Name: 1-[(E)-1-(2-methyl-5-nitro-2-oxidanyl-5-propyl-cyclohexyl)ethylideneamino]urea Openeye Name: [(E)-1-(2-hydroxy-2-methyl-5-nitro-5-propyl-cyclohexyl)ethylideneamino]urea CAS Name: [(E)-1-(2-hydroxy-2-methyl-5-nitro-5-propylcyclohexyl)ethylideneamino]urea IUPAC Name: [(E)-1-(2-hydroxy-2-methyl-5-nitro-5-propylcyclohexyl)ethylideneamino]urea Traditional Name: [(E)-1-(2-hydroxy-2-methyl-5-nitro-5-propyl-cyclohexyl)ethylideneamino]urea Formula: C13H24N4O4 MolecularWeight: 300.35406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(C(C1)C(=NNC(=O)N)C)(C)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1(CCC(C(C1)/C(=N/NC(=O)N)/C)(C)O)[N+](=O)[O-]

InChI

InChI=1S/C13H24N4O4/c1-4-5-13(17(20)21)7-6-12(3,19)10(8-13)9(2)15-16-11(14)18/h10,19H,4-8H2,1-3H3,(H3,14,16,18)/b15-9+