5-nitro-2-(1-phenylbutylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(1-phenylbutylamino)benzenecarbonitrile Openeye Name: 5-nitro-2-(1-phenylbutylamino)benzonitrile CAS Name: 5-nitro-2-(1-phenylbutylamino)benzonitrile IUPAC Name: 5-nitro-2-(1-phenylbutylamino)benzonitrile Traditional Name: 5-nitro-2-(1-phenylbutylamino)benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N3O2/c1-2-6-16(13-7-4-3-5-8-13)19-17-10-9-15(20(21)22)11-14(17)12-18/h3-5,7-11,16,19H,2,6H2,1H3