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

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzonitrile CAS Name: 3-nitro-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-3-nitro-benzonitrile Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c18-12-14-3-4-15(16(11-14)22(24)25)20-9-7-19(8-10-20)13-17(23)21-5-1-2-6-21/h3-4,11H,1-2,5-10,13H2