1-[(2S)-butan-2-yl]-5-nitro-benzimidazole

Systemtic Name: 1-[(2S)-butan-2-yl]-5-nitro-benzimidazole Openeye Name: 1-[(1S)-1-methylpropyl]-5-nitro-benzimidazole CAS Name: 1-[(2S)-butan-2-yl]-5-nitrobenzimidazole IUPAC Name: 1-[(2S)-butan-2-yl]-5-nitrobenzimidazole Traditional Name: 1-[(1S)-1-methylpropyl]-5-nitro-benzimidazole Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2/c1-3-8(2)13-7-12-10-6-9(14(15)16)4-5-11(10)13/h4-8H,3H2,1-2H3/t8-/m0/s1