4-[(3-fluoranyl-4-nitro-phenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[(3-fluoranyl-4-nitro-phenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(3-fluoro-4-nitro-phenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(3-fluoro-4-nitrophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3-fluoro-4-nitrophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(3-fluoro-4-nitro-benzyl)-(5-pyrimidyl)amino]benzonitrile Formula: C18H12FN5O2 MolecularWeight: 349.318583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)[N+](=O)[O-])F)C3=CN=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)[N+](=O)[O-])F)C3=CN=CN=C3

InChI

InChI=1S/C18H12FN5O2/c19-17-7-14(3-6-18(17)24(25)26)11-23(16-9-21-12-22-10-16)15-4-1-13(8-20)2-5-15/h1-7,9-10,12H,11H2