[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C17H22N4O7/c1-2-5-18-17(24)19-15(22)11-28-16(23)13-10-12(21(25)26)3-4-14(13)20-6-8-27-9-7-20/h3-4,10H,2,5-9,11H2,1H3,(H2,18,19,22,24)