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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CC=C2

Isomeric SMILES

CCC(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CC=C2

InChI

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