2-[[3,4-bis(fluoranyl)phenyl]methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3,4-difluorophenyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(3,4-difluorophenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3,4-difluorophenyl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(3,4-difluorobenzyl)amino]-5-nitro-benzonitrile Formula: C14H9F2N3O2 MolecularWeight: 289.236966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)F)F

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)F)F

InChI

InChI=1S/C14H9F2N3O2/c15-12-3-1-9(5-13(12)16)8-18-14-4-2-11(19(20)21)6-10(14)7-17/h1-6,18H,8H2