N-(4-butylphenyl)-2-morpholin-4-yl-5-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-2-3-4-16-5-7-17(8-6-16)22-21(25)19-15-18(24(26)27)9-10-20(19)23-11-13-28-14-12-23/h5-10,15H,2-4,11-14H2,1H3,(H,22,25)