2-(4-bromanyl-2-methoxy-6-nitro-phenoxy)propanedioic acid

Systemtic Name: 2-(4-bromanyl-2-methoxy-6-nitro-phenoxy)propanedioic acid Openeye Name: 2-(4-bromo-2-methoxy-6-nitro-phenoxy)propanedioic acid CAS Name: 2-(4-bromo-2-methoxy-6-nitrophenoxy)propanedioic acid IUPAC Name: 2-(4-bromo-2-methoxy-6-nitrophenoxy)propanedioic acid Traditional Name: 2-(4-bromo-2-methoxy-6-nitro-phenoxy)malonic acid Formula: C10H8BrNO8 MolecularWeight: 350.07642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)[N+](=O)[O-])OC(C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)[N+](=O)[O-])OC(C(=O)O)C(=O)O

InChI

InChI=1S/C10H8BrNO8/c1-19-6-3-4(11)2-5(12(17)18)7(6)20-8(9(13)14)10(15)16/h2-3,8H,1H3,(H,13,14)(H,15,16)