N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholino-5-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-14-4-5-15(2)18(12-14)16(3)22-21(25)19-13-17(24(26)27)6-7-20(19)23-8-10-28-11-9-23/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,25)