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

Systemtic Name: 4-[(4-nitrophenyl)-pyrimidin-5-yl-amino]benzenecarbonitrile Openeye Name: 4-(4-nitro-N-pyrimidin-5-yl-anilino)benzonitrile CAS Name: 4-[4-nitro-N-(5-pyrimidinyl)anilino]benzonitrile IUPAC Name: 4-(4-nitro-N-pyrimidin-5-ylanilino)benzonitrile Traditional Name: 4-[4-nitro-N-(5-pyrimidyl)anilino]benzonitrile Formula: C17H11N5O2 MolecularWeight: 317.30154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CN=CN=C3

InChI

InChI=1S/C17H11N5O2/c18-9-13-1-3-14(4-2-13)21(17-10-19-12-20-11-17)15-5-7-16(8-6-15)22(23)24/h1-8,10-12H