(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H27NO8 MolecularWeight: 457.47308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C24H27NO8/c1-2-3-4-11-31-21-7-5-17(6-8-21)22(26)9-10-23(27)32-15-19-13-20(25(28)29)12-18-14-30-16-33-24(18)19/h5-8,12-13H,2-4,9-11,14-16H2,1H3