3-[4-(4-nitrophenyl)butylamino]benzenecarbonitrile

Systemtic Name: 3-[4-(4-nitrophenyl)butylamino]benzenecarbonitrile Openeye Name: 3-[4-(4-nitrophenyl)butylamino]benzonitrile CAS Name: 3-[4-(4-nitrophenyl)butylamino]benzonitrile IUPAC Name: 3-[4-(4-nitrophenyl)butylamino]benzonitrile Traditional Name: 3-[4-(4-nitrophenyl)butylamino]benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCCCCC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NCCCCC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N3O2/c18-13-15-5-3-6-16(12-15)19-11-2-1-4-14-7-9-17(10-8-14)20(21)22/h3,5-10,12,19H,1-2,4,11H2