(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H12BrNO7 MolecularWeight: 410.17298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3)Br)O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3)Br)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO7/c17-11-1-2-14(19)13(5-11)16(20)24-7-10-4-12(18(21)22)3-9-6-23-8-25-15(9)10/h1-5,19H,6-8H2