4-azanyl-3-fluoranyl-2-(2-methylpiperazin-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 4-azanyl-3-fluoranyl-2-(2-methylpiperazin-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 4-amino-3-fluoro-2-(2-methylpiperazin-1-yl)-5-nitro-benzonitrile CAS Name: 4-amino-3-fluoro-2-(2-methyl-1-piperazinyl)-5-nitrobenzonitrile IUPAC Name: 4-amino-3-fluoro-2-(2-methylpiperazin-1-yl)-5-nitrobenzonitrile Traditional Name: 4-amino-3-fluoro-2-(2-methylpiperazino)-5-nitro-benzonitrile Formula: C12H14FN5O2 MolecularWeight: 279.270263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=C(C(=C(C=C2C#N)[N+](=O)[O-])N)F

Isomeric SMILES

CC1CNCCN1C2=C(C(=C(C=C2C#N)[N+](=O)[O-])N)F

InChI

InChI=1S/C12H14FN5O2/c1-7-6-16-2-3-17(7)12-8(5-14)4-9(18(19)20)11(15)10(12)13/h4,7,16H,2-3,6,15H2,1H3