2-[(5-bromanyl-2-nitro-phenyl)amino]propanoic acid

Systemtic Name: 2-[(5-bromanyl-2-nitro-phenyl)amino]propanoic acid Openeye Name: 2-(5-bromo-2-nitro-anilino)propanoic acid CAS Name: 2-(5-bromo-2-nitroanilino)propanoic acid IUPAC Name: 2-(5-bromo-2-nitroanilino)propanoic acid Traditional Name: 2-(5-bromo-2-nitro-anilino)propionic acid Formula: C9H9BrN2O4 MolecularWeight: 289.08276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C=CC(=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C=CC(=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C9H9BrN2O4/c1-5(9(13)14)11-7-4-6(10)2-3-8(7)12(15)16/h2-5,11H,1H3,(H,13,14)