(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C21H19ClN2O7 MolecularWeight: 446.83776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN2O7/c1-13(20(26)23-8-10-30-11-9-23)31-21(27)16-5-3-2-4-15(16)19(25)14-6-7-17(22)18(12-14)24(28)29/h2-7,12-13H,8-11H2,1H3