3-nitro-4-(4-oxidanylbutylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-oxidanylbutylamino)benzenecarbonitrile Openeye Name: 4-(4-hydroxybutylamino)-3-nitro-benzonitrile CAS Name: 4-(4-hydroxybutylamino)-3-nitrobenzonitrile IUPAC Name: 4-(4-hydroxybutylamino)-3-nitrobenzonitrile Traditional Name: 4-(4-hydroxybutylamino)-3-nitro-benzonitrile Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3/c12-8-9-3-4-10(11(7-9)14(16)17)13-5-1-2-6-15/h3-4,7,13,15H,1-2,5-6H2