3-(bromomethyl)-4-nitro-benzoic acid

Systemtic Name: 3-(bromomethyl)-4-nitro-benzoic acid Openeye Name: 3-(bromomethyl)-4-nitro-benzoic acid CAS Name: 3-(bromomethyl)-4-nitrobenzoic acid IUPAC Name: 3-(bromomethyl)-4-nitrobenzoic acid Traditional Name: 3-(bromomethyl)-4-nitro-benzoic acid Formula: C8H6BrNO4 MolecularWeight: 260.04154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)CBr)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)CBr)[N+](=O)[O-]

InChI

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