5-nitro-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]benzonitrile CAS Name: 5-nitro-2-[[2-(1-pyrazolylmethyl)phenyl]methylamino]benzonitrile IUPAC Name: 5-nitro-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]benzonitrile Traditional Name: 5-nitro-2-[[2-(pyrazol-1-ylmethyl)benzyl]amino]benzonitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CN3C=CC=N3

InChI

InChI=1S/C18H15N5O2/c19-11-16-10-17(23(24)25)6-7-18(16)20-12-14-4-1-2-5-15(14)13-22-9-3-8-21-22/h1-10,20H,12-13H2