3-[3-azanyl-7-(4-nitrophenyl)-3-oxidanyl-heptan-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-azanyl-7-(4-nitrophenyl)-3-oxidanyl-heptan-2-yl]benzenecarbonitrile Openeye Name: 3-[2-amino-2-hydroxy-1-methyl-6-(4-nitrophenyl)hexyl]benzonitrile CAS Name: 3-[3-amino-3-hydroxy-7-(4-nitrophenyl)heptan-2-yl]benzonitrile IUPAC Name: 3-[3-amino-3-hydroxy-7-(4-nitrophenyl)heptan-2-yl]benzonitrile Traditional Name: 3-[2-amino-2-hydroxy-1-methyl-6-(4-nitrophenyl)hexyl]benzonitrile Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)C(CCCCC2=CC=C(C=C2)[N+](=O)[O-])(N)O

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)C(CCCCC2=CC=C(C=C2)[N+](=O)[O-])(N)O

InChI

InChI=1S/C20H23N3O3/c1-15(18-7-4-6-17(13-18)14-21)20(22,24)12-3-2-5-16-8-10-19(11-9-16)23(25)26/h4,6-11,13,15,24H,2-3,5,12,22H2,1H3