3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3-bromanyl-5-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-bromo-4-hydroxy-5-nitro-phenyl)propanoic acid CAS Name: 3-(3-bromo-4-hydroxy-5-nitrophenyl)propanoic acid IUPAC Name: 3-(3-bromo-4-hydroxy-5-nitrophenyl)propanoic acid Traditional Name: 3-(3-bromo-4-hydroxy-5-nitro-phenyl)propionic acid Formula: C9H8BrNO5 MolecularWeight: 290.06752

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)CCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)CCC(=O)O

InChI

InChI=1S/C9H8BrNO5/c10-6-3-5(1-2-8(12)13)4-7(9(6)14)11(15)16/h3-4,14H,1-2H2,(H,12,13)