(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4,5-triethoxybenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4,5-triethoxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H25NO9 MolecularWeight: 447.4352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H25NO9/c1-4-28-18-9-14(10-19(29-5-2)21(18)30-6-3)22(24)31-12-16-8-17(23(25)26)7-15-11-27-13-32-20(15)16/h7-10H,4-6,11-13H2,1-3H3