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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-ethoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-ethoxy-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-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-morpholino-ethoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H26N2O10 MolecularWeight: 502.47064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC(=O)N4CCOCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC(=O)N4CCOCC4

InChI

InChI=1S/C24H26N2O10/c1-2-33-21-11-16(3-4-20(21)34-14-22(27)25-5-7-31-8-6-25)24(28)35-13-18-10-19(26(29)30)9-17-12-32-15-36-23(17)18/h3-4,9-11H,2,5-8,12-15H2,1H3