2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-[4-(4-nitrophenoxy)phenyl]ethanenitrile

Systemtic Name: 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-[4-(4-nitrophenoxy)phenyl]ethanenitrile Openeye Name: 2-[2-(2-hydroxyethyl)-1-piperidyl]-2-[4-(4-nitrophenoxy)phenyl]acetonitrile CAS Name: 2-[2-(2-hydroxyethyl)-1-piperidinyl]-2-[4-(4-nitrophenoxy)phenyl]acetonitrile IUPAC Name: 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-[4-(4-nitrophenoxy)phenyl]acetonitrile Traditional Name: 2-[2-(2-hydroxyethyl)piperidino]-2-[4-(4-nitrophenoxy)phenyl]acetonitrile Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C(C#N)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CCO)C(C#N)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c22-15-21(23-13-2-1-3-17(23)12-14-25)16-4-8-19(9-5-16)28-20-10-6-18(7-11-20)24(26)27/h4-11,17,21,25H,1-3,12-14H2