4-[4-[[(2-fluoranyl-4-nitro-phenyl)amino]methyl]phenyl]piperazin-2-one

Systemtic Name: 4-[4-[[(2-fluoranyl-4-nitro-phenyl)amino]methyl]phenyl]piperazin-2-one Openeye Name: 4-[4-[(2-fluoro-4-nitro-anilino)methyl]phenyl]piperazin-2-one CAS Name: 4-[4-[(2-fluoro-4-nitroanilino)methyl]phenyl]-2-piperazinone IUPAC Name: 4-[4-[(2-fluoro-4-nitroanilino)methyl]phenyl]piperazin-2-one Traditional Name: 4-[4-[(2-fluoro-4-nitro-anilino)methyl]phenyl]piperazin-2-one Formula: C17H17FN4O3 MolecularWeight: 344.340283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C17H17FN4O3/c18-15-9-14(22(24)25)5-6-16(15)20-10-12-1-3-13(4-2-12)21-8-7-19-17(23)11-21/h1-6,9,20H,7-8,10-11H2,(H,19,23)