(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H19ClN2O8 MolecularWeight: 450.82646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCOCC2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCOCC2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O8/c1-28-18-10-13(20(25)30-12-19(24)22-6-8-29-9-7-22)2-4-17(18)31-16-5-3-14(21)11-15(16)23(26)27/h2-5,10-11H,6-9,12H2,1H3