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

Systemtic Name: [1-[(2S)-butan-2-yl]-5-nitro-benzimidazol-2-yl]methanol Openeye Name: [1-[(1S)-1-methylpropyl]-5-nitro-benzimidazol-2-yl]methanol CAS Name: [1-[(2S)-butan-2-yl]-5-nitro-2-benzimidazolyl]methanol IUPAC Name: [1-[(2S)-butan-2-yl]-5-nitrobenzimidazol-2-yl]methanol Traditional Name: [1-[(1S)-1-methylpropyl]-5-nitro-benzimidazol-2-yl]methanol Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CO

Isomeric SMILES

CC[C@H](C)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CO

InChI

InChI=1S/C12H15N3O3/c1-3-8(2)14-11-5-4-9(15(17)18)6-10(11)13-12(14)7-16/h4-6,8,16H,3,7H2,1-2H3/t8-/m0/s1