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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-15-11-3-2-10(8-12(11)17(20)21)14(19)23-9-13(18)16-4-6-22-7-5-16/h2-3,8,15H,4-7,9H2,1H3