3-nitro-4-(6-oxidanylhexylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(6-oxidanylhexylamino)benzenecarbonitrile Openeye Name: 4-(6-hydroxyhexylamino)-3-nitro-benzonitrile CAS Name: 4-(6-hydroxyhexylamino)-3-nitrobenzonitrile IUPAC Name: 4-(6-hydroxyhexylamino)-3-nitrobenzonitrile Traditional Name: 4-(6-hydroxyhexylamino)-3-nitro-benzonitrile Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCCCCO

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCCCCO

InChI

InChI=1S/C13H17N3O3/c14-10-11-5-6-12(13(9-11)16(18)19)15-7-3-1-2-4-8-17/h5-6,9,15,17H,1-4,7-8H2