1-[(E)-5-nitrooctan-2-ylideneamino]urea

Systemtic Name: 1-[(E)-5-nitrooctan-2-ylideneamino]urea Openeye Name: [(E)-(1-methyl-4-nitro-heptylidene)amino]urea CAS Name: [(E)-5-nitrooctan-2-ylideneamino]urea IUPAC Name: [(E)-5-nitrooctan-2-ylideneamino]urea Traditional Name: [(E)-(1-methyl-4-nitro-heptylidene)amino]urea Formula: C9H18N4O3 MolecularWeight: 230.26422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(CC/C(=N/NC(=O)N)/C)[N+](=O)[O-]

InChI

InChI=1S/C9H18N4O3/c1-3-4-8(13(15)16)6-5-7(2)11-12-9(10)14/h8H,3-6H2,1-2H3,(H3,10,12,14)/b11-7+