3-nitro-4-(3-oxidanylpropylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(3-oxidanylpropylamino)benzenecarbonitrile Openeye Name: 4-(3-hydroxypropylamino)-3-nitro-benzonitrile CAS Name: 4-(3-hydroxypropylamino)-3-nitrobenzonitrile IUPAC Name: 4-(3-hydroxypropylamino)-3-nitrobenzonitrile Traditional Name: 4-(3-hydroxypropylamino)-3-nitro-benzonitrile Formula: C10H11N3O3 MolecularWeight: 221.21264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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