4-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbonyl-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbonyl-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbonyl]-3-fluoro-benzonitrile CAS Name: 4-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-oxomethyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbonyl]-3-fluorobenzonitrile Traditional Name: 4-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbonyl]-3-fluoro-benzonitrile Formula: C18H14ClFN4O3 MolecularWeight: 388.780163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F

InChI

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