5-nitro-2-(3-propan-2-yloxypropylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-propan-2-yloxypropylamino)benzenecarbonitrile Openeye Name: 2-(3-isopropoxypropylamino)-5-nitro-benzonitrile CAS Name: 5-nitro-2-(3-propan-2-yloxypropylamino)benzonitrile IUPAC Name: 5-nitro-2-(3-propan-2-yloxypropylamino)benzonitrile Traditional Name: 2-(3-isopropoxypropylamino)-5-nitro-benzonitrile Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)OCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H17N3O3/c1-10(2)19-7-3-6-15-13-5-4-12(16(17)18)8-11(13)9-14/h4-5,8,10,15H,3,6-7H2,1-2H3