5-nitro-2-[(1-phenylpyrazol-4-yl)methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(1-phenylpyrazol-4-yl)methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[(1-phenylpyrazol-4-yl)methylamino]benzonitrile CAS Name: 5-nitro-2-[(1-phenyl-4-pyrazolyl)methylamino]benzonitrile IUPAC Name: 5-nitro-2-[(1-phenylpyrazol-4-yl)methylamino]benzonitrile Traditional Name: 5-nitro-2-[(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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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