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

Systemtic Name: 5-nitro-2-(3-oxidanylpropylamino)benzenecarbonitrile Openeye Name: 2-(3-hydroxypropylamino)-5-nitro-benzonitrile CAS Name: 2-(3-hydroxypropylamino)-5-nitrobenzonitrile IUPAC Name: 2-(3-hydroxypropylamino)-5-nitrobenzonitrile Traditional Name: 2-(3-hydroxypropylamino)-5-nitro-benzonitrile Formula: C10H11N3O3 MolecularWeight: 221.21264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O3/c11-7-8-6-9(13(15)16)2-3-10(8)12-4-1-5-14/h2-3,6,12,14H,1,4-5H2