3-[1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H24N4O5/c26-17(14-30-18-7-5-16(6-8-18)25(28)29)13-23-11-9-15(10-12-23)24-20-4-2-1-3-19(20)22-21(24)27/h1-8,15,17,26H,9-14H2,(H,22,27)