3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

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