4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(3,4-difluorobenzoyl)piperazino]-3-nitro-benzonitrile Formula: C18H14F2N4O3 MolecularWeight: 372.325566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F2N4O3/c19-14-3-2-13(10-15(14)20)18(25)23-7-5-22(6-8-23)16-4-1-12(11-21)9-17(16)24(26)27/h1-4,9-10H,5-8H2