4-(2-bromoethyl)-3-nitro-benzoic acid

Systemtic Name: 4-(2-bromoethyl)-3-nitro-benzoic acid Openeye Name: 4-(2-bromoethyl)-3-nitro-benzoic acid CAS Name: 4-(2-bromoethyl)-3-nitrobenzoic acid IUPAC Name: 4-(2-bromoethyl)-3-nitrobenzoic acid Traditional Name: 4-(2-bromoethyl)-3-nitro-benzoic acid Formula: C9H8BrNO4 MolecularWeight: 274.06812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8BrNO4/c10-4-3-6-1-2-7(9(12)13)5-8(6)11(14)15/h1-2,5H,3-4H2,(H,12,13)