5-[[2,6-bis(bromanyl)-4-nitro-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2,6-bis(bromanyl)-4-nitro-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[(2,6-dibromo-4-nitro-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(2,6-dibromo-4-nitrophenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2,6-dibromo-4-nitrophenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2,6-dibromo-4-nitro-phenoxy)methyl]-2-furoic acid Formula: C12H7Br2NO6 MolecularWeight: 420.99508

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)COC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)COC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C12H7Br2NO6/c13-8-3-6(15(18)19)4-9(14)11(8)20-5-7-1-2-10(21-7)12(16)17/h1-4H,5H2,(H,16,17)