6-nitro-2-pentan-3-yl-1H-benzimidazole

Systemtic Name: 6-nitro-2-pentan-3-yl-1H-benzimidazole Openeye Name: 2-(1-ethylpropyl)-6-nitro-1H-benzimidazole CAS Name: 6-nitro-2-pentan-3-yl-1H-benzimidazole IUPAC Name: 6-nitro-2-pentan-3-yl-1H-benzimidazole Traditional Name: 2-(1-ethylpropyl)-6-nitro-1H-benzimidazole Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O2/c1-3-8(4-2)12-13-10-6-5-9(15(16)17)7-11(10)14-12/h5-8H,3-4H2,1-2H3,(H,13,14)