3-[(4-bromanyl-2-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[(4-bromanyl-2-nitro-phenyl)amino]propanoic acid Openeye Name: 3-(4-bromo-2-nitro-anilino)propanoic acid CAS Name: 3-(4-bromo-2-nitroanilino)propanoic acid IUPAC Name: 3-(4-bromo-2-nitroanilino)propanoic acid Traditional Name: 3-(4-bromo-2-nitro-anilino)propionic acid Formula: C9H9BrN2O4 MolecularWeight: 289.08276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrN2O4/c10-6-1-2-7(8(5-6)12(15)16)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14)