benzene; cyclohexane; N-ethyl-5-nitro-1-oxidanyl-2H-benzimidazol-4-imine

Systemtic Name: benzene; cyclohexane; N-ethyl-5-nitro-1-oxidanyl-2H-benzimidazol-4-imine Openeye Name: benzene; cyclohexane; N-ethyl-1-hydroxy-5-nitro-2H-benzimidazol-4-imine CAS Name: benzene; cyclohexane; N-ethyl-1-hydroxy-5-nitro-2H-benzimidazol-4-imine IUPAC Name: benzene; cyclohexane; N-ethyl-1-hydroxy-5-nitro-2H-benzimidazol-4-imine Traditional Name: benzene; cyclohexane; ethyl-(1-hydroxy-5-nitro-2H-benzimidazol-4-ylidene)amine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1C(=CC=C2C1=NCN2O)[N+](=O)[O-].C1CCCCC1.C1=CC=CC=C1

Isomeric SMILES

CCN=C1C(=CC=C2C1=NCN2O)[N+](=O)[O-].C1CCCCC1.C1=CC=CC=C1

InChI

InChI=1S/C9H10N4O3.C6H12.C6H6/c1-2-10-9-7(13(15)16)4-3-6-8(9)11-5-12(6)14;2*1-2-4-6-5-3-1/h3-4,14H,2,5H2,1H3;1-6H2;1-6H