N-(2-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-5-nitro-N-(2-sec-butylphenyl)benzamide CAS Name: N-(2-butan-2-ylphenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-(2-sec-butylphenyl)benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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