4-nitro-2-(3-piperidin-1-ylpropoxy)benzenecarbonitrile chloride

Systemtic Name: 4-nitro-2-(3-piperidin-1-ylpropoxy)benzenecarbonitrile chloride Openeye Name: 4-nitro-2-[3-(1-piperidyl)propoxy]benzonitrile chloride CAS Name: 4-nitro-2-[3-(1-piperidinyl)propoxy]benzonitrile chloride IUPAC Name: 4-nitro-2-(3-piperidin-1-ylpropoxy)benzonitrile chloride Traditional Name: 4-nitro-2-(3-piperidinopropoxy)benzonitrile chloride Formula: C15H19ClN3O3- MolecularWeight: 324.78266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])C#N.[Cl-]

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])C#N.[Cl-]

InChI

InChI=1S/C15H19N3O3.ClH/c16-12-13-5-6-14(18(19)20)11-15(13)21-10-4-9-17-7-2-1-3-8-17;/h5-6,11H,1-4,7-10H2;1H/p-1