2-(5-bromanyl-2-nitro-phenyl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-2-nitro-phenyl)ethanoic acid Openeye Name: 2-(5-bromo-2-nitro-phenyl)acetic acid CAS Name: 2-(5-bromo-2-nitrophenyl)acetic acid IUPAC Name: 2-(5-bromo-2-nitrophenyl)acetic acid Traditional Name: 2-(5-bromo-2-nitro-phenyl)acetic acid Formula: C8H6BrNO4 MolecularWeight: 260.04154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H6BrNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)