butyl 4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoate Openeye Name: butyl 4-[(2-morpholino-5-nitro-benzoyl)amino]benzoate CAS Name: 4-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid butyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c1-2-3-12-31-22(27)16-4-6-17(7-5-16)23-21(26)19-15-18(25(28)29)8-9-20(19)24-10-13-30-14-11-24/h4-9,15H,2-3,10-14H2,1H3,(H,23,26)