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

Systemtic Name: 3-nitro-4-[[2-(oxolan-3-yl)-2-pyrrolidin-1-yl-ethyl]amino]benzenecarbonitrile Openeye Name: 3-nitro-4-[(2-pyrrolidin-1-yl-2-tetrahydrofuran-3-yl-ethyl)amino]benzonitrile CAS Name: 3-nitro-4-[[2-(3-oxolanyl)-2-(1-pyrrolidinyl)ethyl]amino]benzonitrile IUPAC Name: 3-nitro-4-[[2-(oxolan-3-yl)-2-pyrrolidin-1-ylethyl]amino]benzonitrile Traditional Name: 3-nitro-4-[(2-pyrrolidino-2-tetrahydrofuran-3-yl-ethyl)amino]benzonitrile Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3CCOC3

Isomeric SMILES

C1CCN(C1)C(CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3CCOC3

InChI

InChI=1S/C17H22N4O3/c18-10-13-3-4-15(16(9-13)21(22)23)19-11-17(14-5-8-24-12-14)20-6-1-2-7-20/h3-4,9,14,17,19H,1-2,5-8,11-12H2