butyl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 4-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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