4-[[(4-nitrophenyl)-pyrimidin-5-yl-amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4-nitrophenyl)-pyrimidin-5-yl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[(4-nitro-N-pyrimidin-5-yl-anilino)methyl]benzonitrile CAS Name: 4-[[4-nitro-N-(5-pyrimidinyl)anilino]methyl]benzonitrile IUPAC Name: 4-[(4-nitro-N-pyrimidin-5-ylanilino)methyl]benzonitrile Traditional Name: 4-[[4-nitro-N-(5-pyrimidyl)anilino]methyl]benzonitrile Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CN=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CN=C3)C#N

InChI

InChI=1S/C18H13N5O2/c19-9-14-1-3-15(4-2-14)12-22(18-10-20-13-21-11-18)16-5-7-17(8-6-16)23(24)25/h1-8,10-11,13H,12H2