6-[3-(dimethylamino)propylamino]-2-morpholin-4-yl-3-nitro-benzenecarbonitrile

Systemtic Name: 6-[3-(dimethylamino)propylamino]-2-morpholin-4-yl-3-nitro-benzenecarbonitrile Openeye Name: 6-[3-(dimethylamino)propylamino]-2-morpholino-3-nitro-benzonitrile CAS Name: 6-[3-(dimethylamino)propylamino]-2-(4-morpholinyl)-3-nitrobenzonitrile IUPAC Name: 6-[3-(dimethylamino)propylamino]-2-morpholin-4-yl-3-nitrobenzonitrile Traditional Name: 6-[3-(dimethylamino)propylamino]-2-morpholino-3-nitro-benzonitrile Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C(=C(C=C1)[N+](=O)[O-])N2CCOCC2)C#N

Isomeric SMILES

CN(C)CCCNC1=C(C(=C(C=C1)[N+](=O)[O-])N2CCOCC2)C#N

InChI

InChI=1S/C16H23N5O3/c1-19(2)7-3-6-18-14-4-5-15(21(22)23)16(13(14)12-17)20-8-10-24-11-9-20/h4-5,18H,3,6-11H2,1-2H3