5-nitro-2-(3-phenylmethoxypropylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-phenylmethoxypropylamino)benzenecarbonitrile Openeye Name: 2-(3-benzyloxypropylamino)-5-nitro-benzonitrile CAS Name: 5-nitro-2-(3-phenylmethoxypropylamino)benzonitrile IUPAC Name: 5-nitro-2-(3-phenylmethoxypropylamino)benzonitrile Traditional Name: 2-(3-benzoxypropylamino)-5-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H17N3O3/c18-12-15-11-16(20(21)22)7-8-17(15)19-9-4-10-23-13-14-5-2-1-3-6-14/h1-3,5-8,11,19H,4,9-10,13H2