5,6-dimethyl-7-nitro-1-pentan-3-yl-benzimidazole

Systemtic Name: 5,6-dimethyl-7-nitro-1-pentan-3-yl-benzimidazole Openeye Name: 1-(1-ethylpropyl)-5,6-dimethyl-7-nitro-benzimidazole CAS Name: 5,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole IUPAC Name: 5,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole Traditional Name: 1-(1-ethylpropyl)-5,6-dimethyl-7-nitro-benzimidazole Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1C(=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)N1C=NC2=C1C(=C(C(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O2/c1-5-11(6-2)16-8-15-12-7-9(3)10(4)13(14(12)16)17(18)19/h7-8,11H,5-6H2,1-4H3