(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O7/c1-24-7-4-17-13-3-2-12(10-14(13)19(22)23)16(21)26-11-15(20)18-5-8-25-9-6-18/h2-3,10,17H,4-9,11H2,1H3