2-[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(4-chloro-2-nitro-benzoyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(4-chloro-2-nitro-benzoyl)piperazino]-6-fluoro-benzonitrile Formula: C18H14ClFN4O3 MolecularWeight: 388.780163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClFN4O3/c19-12-4-5-13(17(10-12)24(26)27)18(25)23-8-6-22(7-9-23)16-3-1-2-15(20)14(16)11-21/h1-5,10H,6-9H2