(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O7/c1-13(19(24)22-8-10-28-11-9-22)29-20(25)14-2-5-16(6-3-14)30-18-7-4-15(21)12-17(18)23(26)27/h2-7,12-13H,8-11H2,1H3