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

Systemtic Name: 4-[(4-nitrophenyl)methyl-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-[(4-nitrophenyl)methyl-pyrimidin-5-yl-amino]benzonitrile CAS Name: 4-[(4-nitrophenyl)methyl-(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(4-nitrophenyl)methyl-pyrimidin-5-ylamino]benzonitrile Traditional Name: 4-[(4-nitrobenzyl)-(5-pyrimidyl)amino]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)C#N)C3=CN=CN=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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