3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzonitrile CAS Name: 3-nitro-4-[2-(1-phenyl-4-pyrazolyl)ethylamino]benzonitrile IUPAC Name: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzonitrile Traditional Name: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzonitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

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