3-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[2-morpholino-2-(p-tolyl)ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[2-(4-methylphenyl)-2-(4-morpholinyl)ethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[2-morpholino-2-(p-tolyl)ethyl]-4-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-15-3-5-17(6-4-15)20(23-9-11-28-12-10-23)14-22-21(25)18-7-8-19(24(26)27)16(2)13-18/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)