(2-morpholin-4-yl-2-oxidanylidene-ethyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: (2-morpholino-2-oxo-ethyl) (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid (2-keto-2-morpholino-ethyl) ester Formula: C16H18ClN3O7 MolecularWeight: 399.78302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCOCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCOCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O7/c1-10(16(23)27-9-14(21)19-4-6-26-7-5-19)18-15(22)11-2-3-12(17)13(8-11)20(24)25/h2-3,8,10H,4-7,9H2,1H3,(H,18,22)/t10-/m0/s1