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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)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-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H23NO7/c1-2-3-15-4-6-16(7-5-15)20(24)8-9-21(25)29-13-18-11-19(23(26)27)10-17-12-28-14-30-22(17)18/h4-7,10-11H,2-3,8-9,12-14H2,1H3