4-[1-[4-[(4-nitrophenoxy)methyl]-4-oxidanyl-piperidin-2-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[4-[(4-nitrophenoxy)methyl]-4-oxidanyl-piperidin-2-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[4-hydroxy-4-[(4-nitrophenoxy)methyl]-2-piperidyl]ethyl]benzonitrile CAS Name: 4-[1-[4-hydroxy-4-[(4-nitrophenoxy)methyl]-2-piperidinyl]ethyl]benzonitrile IUPAC Name: 4-[1-[4-hydroxy-4-[(4-nitrophenoxy)methyl]piperidin-2-yl]ethyl]benzonitrile Traditional Name: 4-[1-[4-hydroxy-4-[(4-nitrophenoxy)methyl]-2-piperidyl]ethyl]benzonitrile Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CCN1)(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1CC(CCN1)(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O4/c1-15(17-4-2-16(13-22)3-5-17)20-12-21(25,10-11-23-20)14-28-19-8-6-18(7-9-19)24(26)27/h2-9,15,20,23,25H,10-12,14H2,1H3