2-[(3S)-1-(3-nitropyridin-2-yl)piperidin-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-(3-nitropyridin-2-yl)piperidin-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-(3-nitro-2-pyridyl)-3-piperidyl]-1H-benzimidazole CAS Name: 2-[(3S)-1-(3-nitro-2-pyridinyl)-3-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-(3-nitropyridin-2-yl)piperidin-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-(3-nitro-2-pyridyl)-3-piperidyl]-1H-benzimidazole Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H17N5O2/c23-22(24)15-8-3-9-18-17(15)21-10-4-5-12(11-21)16-19-13-6-1-2-7-14(13)20-16/h1-3,6-9,12H,4-5,10-11H2,(H,19,20)/t12-/m0/s1