4-[(3-fluoranyl-4-nitro-phenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[(3-fluoranyl-4-nitro-phenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-[(3-fluoro-4-nitro-phenyl)methyl-pyrimidin-2-yl-amino]benzonitrile CAS Name: 4-[(3-fluoro-4-nitrophenyl)methyl-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(3-fluoro-4-nitrophenyl)methyl-pyrimidin-2-ylamino]benzonitrile Traditional Name: 4-[(3-fluoro-4-nitro-benzyl)-(2-pyrimidyl)amino]benzonitrile Formula: C18H12FN5O2 MolecularWeight: 349.318583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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