3-(3-azanylpropylamino)-4-nitro-benzenecarbonitrile

Systemtic Name: 3-(3-azanylpropylamino)-4-nitro-benzenecarbonitrile Openeye Name: 3-(3-aminopropylamino)-4-nitro-benzonitrile CAS Name: 3-(3-aminopropylamino)-4-nitrobenzonitrile IUPAC Name: 3-(3-aminopropylamino)-4-nitrobenzonitrile Traditional Name: 3-(3-aminopropylamino)-4-nitro-benzonitrile Formula: C10H12N4O2 MolecularWeight: 220.22788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O2/c11-4-1-5-13-9-6-8(7-12)2-3-10(9)14(15)16/h2-3,6,13H,1,4-5,11H2