2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-fluorobenzoyl)piperazino]-5-nitro-benzonitrile Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN4O3/c19-15-3-1-13(2-4-15)18(24)22-9-7-21(8-10-22)17-6-5-16(23(25)26)11-14(17)12-20/h1-6,11H,7-10H2