2,6-bis[3-(dimethylamino)propylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 2,6-bis[3-(dimethylamino)propylamino]-3-nitro-benzenecarbonitrile Openeye Name: 2,6-bis[3-(dimethylamino)propylamino]-3-nitro-benzonitrile CAS Name: 2,6-bis[3-(dimethylamino)propylamino]-3-nitrobenzonitrile IUPAC Name: 2,6-bis[3-(dimethylamino)propylamino]-3-nitrobenzonitrile Traditional Name: 2,6-bis[3-(dimethylamino)propylamino]-3-nitro-benzonitrile Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C(=C(C=C1)[N+](=O)[O-])NCCCN(C)C)C#N

Isomeric SMILES

CN(C)CCCNC1=C(C(=C(C=C1)[N+](=O)[O-])NCCCN(C)C)C#N

InChI

InChI=1S/C17H28N6O2/c1-21(2)11-5-9-19-15-7-8-16(23(24)25)17(14(15)13-18)20-10-6-12-22(3)4/h7-8,19-20H,5-6,9-12H2,1-4H3