4-[[(4-nitrophenyl)-pyrimidin-2-yl-amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4-nitrophenyl)-pyrimidin-2-yl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[(4-nitro-N-pyrimidin-2-yl-anilino)methyl]benzonitrile CAS Name: 4-[[4-nitro-N-(2-pyrimidinyl)anilino]methyl]benzonitrile IUPAC Name: 4-[(4-nitro-N-pyrimidin-2-ylanilino)methyl]benzonitrile Traditional Name: 4-[[4-nitro-N-(2-pyrimidyl)anilino]methyl]benzonitrile Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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