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

Systemtic Name: 4-[(4-nitrophenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-[(4-nitrophenyl)methyl-pyrimidin-2-yl-amino]benzonitrile CAS Name: 4-[(4-nitrophenyl)methyl-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(4-nitrophenyl)methyl-pyrimidin-2-ylamino]benzonitrile Traditional Name: 4-[(4-nitrobenzyl)-(2-pyrimidyl)amino]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)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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