(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H16BrNO8 MolecularWeight: 454.22554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16BrNO8/c1-24-14-6-11(13(20(22)23)8-15(14)25-2)18(21)28-9-10-5-16-17(7-12(10)19)27-4-3-26-16/h5-8H,3-4,9H2,1-2H3