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

Systemtic Name: 3-(3-azanylpropylamino)-4-nitro-benzenecarbonitrile hydrochloride Openeye Name: 3-(3-aminopropylamino)-4-nitro-benzonitrile hydrochloride CAS Name: 3-(3-aminopropylamino)-4-nitrobenzonitrile hydrochloride IUPAC Name: 3-(3-aminopropylamino)-4-nitrobenzonitrile hydrochloride Traditional Name: 3-(3-aminopropylamino)-4-nitro-benzonitrile hydrochloride Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O2.ClH/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;1H