N-(2-cyano-4,5-diethoxy-phenyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2-cyano-4,5-diethoxy-phenyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2-cyano-4,5-diethoxy-phenyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(2-cyano-4,5-diethoxyphenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2-cyano-4,5-diethoxyphenyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2-cyano-4,5-diethoxy-phenyl)-2-morpholino-5-nitro-benzamide Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OCC

InChI

InChI=1S/C22H24N4O6/c1-3-31-20-11-15(14-23)18(13-21(20)32-4-2)24-22(27)17-12-16(26(28)29)5-6-19(17)25-7-9-30-10-8-25/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,27)