cyclohexane; N-methyl-5-nitro-1-oxidanyl-2H-benzimidazol-4-imine; propane

Systemtic Name: cyclohexane; N-methyl-5-nitro-1-oxidanyl-2H-benzimidazol-4-imine; propane Openeye Name: cyclohexane; 1-hydroxy-N-methyl-5-nitro-2H-benzimidazol-4-imine; propane CAS Name: cyclohexane; 1-hydroxy-N-methyl-5-nitro-2H-benzimidazol-4-imine; propane IUPAC Name: cyclohexane; 1-hydroxy-N-methyl-5-nitro-2H-benzimidazol-4-imine; propane Traditional Name: cyclohexane; (1-hydroxy-5-nitro-2H-benzimidazol-4-ylidene)-methyl-amine; n-propane Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CN=C1C(=CC=C2C1=NCN2O)[N+](=O)[O-].C1CCCCC1

Isomeric SMILES

CCC.CN=C1C(=CC=C2C1=NCN2O)[N+](=O)[O-].C1CCCCC1

InChI

InChI=1S/C8H8N4O3.C6H12.C3H8/c1-9-7-6(12(14)15)3-2-5-8(7)10-4-11(5)13;1-2-4-6-5-3-1;1-3-2/h2-3,13H,4H2,1H3;1-6H2;3H2,1-2H3