4-[4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-propyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-propyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-propyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxypropyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-propyl]piperazino]benzonitrile Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=C(N=C2Cl)[N+](=O)[O-])O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC(CN2C=C(N=C2Cl)[N+](=O)[O-])O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H19ClN6O3/c18-17-20-16(24(26)27)12-23(17)11-15(25)10-21-5-7-22(8-6-21)14-3-1-13(9-19)2-4-14/h1-4,12,15,25H,5-8,10-11H2