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

Systemtic Name: 3-nitro-4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]benzenecarbonitrile Openeye Name: 3-nitro-4-[(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]benzonitrile CAS Name: 3-nitro-4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]benzonitrile IUPAC Name: 3-nitro-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile Traditional Name: 4-[(2-keto-2-pyrrolidino-ethyl)amino]-3-nitro-benzonitrile Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c14-8-10-3-4-11(12(7-10)17(19)20)15-9-13(18)16-5-1-2-6-16/h3-4,7,15H,1-2,5-6,9H2