3-[4-(4-nitrophenyl)butyl-(3-oxidanylpropyl)amino]benzenecarbonitrile

Systemtic Name: 3-[4-(4-nitrophenyl)butyl-(3-oxidanylpropyl)amino]benzenecarbonitrile Openeye Name: 3-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]benzonitrile CAS Name: 3-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]benzonitrile IUPAC Name: 3-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]benzonitrile Traditional Name: 3-[3-hydroxypropyl-[4-(4-nitrophenyl)butyl]amino]benzonitrile Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c21-16-18-6-3-7-20(15-18)22(13-4-14-24)12-2-1-5-17-8-10-19(11-9-17)23(25)26/h3,6-11,15,24H,1-2,4-5,12-14H2