3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzonitrile CAS Name: 3-nitro-4-[(1-phenyl-4-pyrazolyl)methylamino]benzonitrile IUPAC Name: 3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzonitrile Traditional Name: 3-nitro-4-[(1-phenylpyrazol-4-yl)methylamino]benzonitrile Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O2/c18-9-13-6-7-16(17(8-13)22(23)24)19-10-14-11-20-21(12-14)15-4-2-1-3-5-15/h1-8,11-12,19H,10H2