(2S)-1-(2-methylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: (2S)-1-(2-methylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol Openeye Name: (2S)-1-(2-methylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol CAS Name: (2S)-1-(2-methyl-1-benzimidazolyl)-3-(4-nitrophenoxy)-2-propanol IUPAC Name: (2S)-1-(2-methylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol Traditional Name: (2S)-1-(2-methylbenzimidazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C[C@@H](COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O4/c1-12-18-16-4-2-3-5-17(16)19(12)10-14(21)11-24-15-8-6-13(7-9-15)20(22)23/h2-9,14,21H,10-11H2,1H3/t14-/m0/s1