N-(2-tert-butylphenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(2-tert-butylphenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-tert-butylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(2-tert-butylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-tert-butylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-tert-butylphenyl)-4-morpholino-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

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