3-butoxy-N-(2-morpholin-4-yl-4-nitro-phenyl)benzamide

Systemtic Name: 3-butoxy-N-(2-morpholin-4-yl-4-nitro-phenyl)benzamide Openeye Name: 3-butoxy-N-(2-morpholino-4-nitro-phenyl)benzamide CAS Name: 3-butoxy-N-[2-(4-morpholinyl)-4-nitrophenyl]benzamide IUPAC Name: 3-butoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide Traditional Name: 3-butoxy-N-(2-morpholino-4-nitro-phenyl)benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H25N3O5/c1-2-3-11-29-18-6-4-5-16(14-18)21(25)22-19-8-7-17(24(26)27)15-20(19)23-9-12-28-13-10-23/h4-8,14-15H,2-3,9-13H2,1H3,(H,22,25)