3-nitro-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile CAS Name: 3-nitro-4-[[2-(1-pyrrolidinylmethyl)phenyl]methylamino]benzonitrile IUPAC Name: 3-nitro-4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile Traditional Name: 3-nitro-4-[[2-(pyrrolidinomethyl)benzyl]amino]benzonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

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