3-nitro-4-(2-phenylbutylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(2-phenylbutylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(2-phenylbutylamino)benzonitrile CAS Name: 3-nitro-4-(2-phenylbutylamino)benzonitrile IUPAC Name: 3-nitro-4-(2-phenylbutylamino)benzonitrile Traditional Name: 3-nitro-4-(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)C#N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

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

InChI

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