(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H19NO9 MolecularWeight: 429.37686

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H19NO9/c23-17(13-1-3-18-19(9-13)29-6-5-28-18)2-4-20(24)30-11-15-8-16(22(25)26)7-14-10-27-12-31-21(14)15/h1,3,7-9H,2,4-6,10-12H2