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

Systemtic Name: 4-[(4-nitrophenyl)-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-(4-nitro-N-pyrimidin-2-yl-anilino)benzonitrile CAS Name: 4-[4-nitro-N-(2-pyrimidinyl)anilino]benzonitrile IUPAC Name: 4-(4-nitro-N-pyrimidin-2-ylanilino)benzonitrile Traditional Name: 4-[4-nitro-N-(2-pyrimidyl)anilino]benzonitrile Formula: C17H11N5O2 MolecularWeight: 317.30154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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