2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-5-nitro-benzonitrile Formula: C18H16ClFN4O2 MolecularWeight: 374.796643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H16ClFN4O2/c19-16-2-1-3-17(20)15(16)12-22-6-8-23(9-7-22)18-5-4-14(24(25)26)10-13(18)11-21/h1-5,10H,6-9,12H2