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

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-morpholino-5-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-15-3-6-20(16(2)13-15)29-10-7-22-21(25)18-14-17(24(26)27)4-5-19(18)23-8-11-28-12-9-23/h3-6,13-14H,7-12H2,1-2H3,(H,22,25)