4-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazino]methyl]benzonitrile Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O2/c19-17-11-16(23(24)25)5-6-18(17)22-9-7-21(8-10-22)13-15-3-1-14(12-20)2-4-15/h1-6,11H,7-10,13H2