N-(2,6-diethylphenyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2,6-diethylphenyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2,6-diethylphenyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(2,6-diethylphenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2,6-diethylphenyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2,6-diethylphenyl)-2-morpholino-5-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-3-15-6-5-7-16(4-2)20(15)22-21(25)18-14-17(24(26)27)8-9-19(18)23-10-12-28-13-11-23/h5-9,14H,3-4,10-13H2,1-2H3,(H,22,25)