(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 4-(2-keto-2-morpholino-ethoxy)-3-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H24N2O10 MolecularWeight: 488.44406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC(=O)N4CCOCC4

InChI

InChI=1S/C23H24N2O10/c1-30-20-10-15(2-3-19(20)33-13-21(26)24-4-6-31-7-5-24)23(27)34-12-17-9-18(25(28)29)8-16-11-32-14-35-22(16)17/h2-3,8-10H,4-7,11-14H2,1H3