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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)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-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H23NO8/c1-2-9-29-19-5-3-15(4-6-19)20(24)7-8-21(25)30-13-17-11-18(23(26)27)10-16-12-28-14-31-22(16)17/h3-6,10-11H,2,7-9,12-14H2,1H3