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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4-diethoxybenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

InChI

InChI=1S/C20H21NO8/c1-3-26-17-6-5-13(9-18(17)27-4-2)20(22)28-11-15-8-16(21(23)24)7-14-10-25-12-29-19(14)15/h5-9H,3-4,10-12H2,1-2H3