3-nitro-4-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)amino]benzenecarbonitrile Openeye Name: 3-nitro-4-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)amino]benzonitrile CAS Name: 3-nitro-4-[[2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]benzonitrile IUPAC Name: 3-nitro-4-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]benzonitrile Traditional Name: 3-nitro-4-[(2-phenyl-2-pyrrolidino-ethyl)amino]benzonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2/c20-13-15-8-9-17(18(12-15)23(24)25)21-14-19(22-10-4-5-11-22)16-6-2-1-3-7-16/h1-3,6-9,12,19,21H,4-5,10-11,14H2