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

Systemtic Name: 3-[(4-bromanyl-2-nitro-phenyl)amino]propanoate Openeye Name: 3-(4-bromo-2-nitro-anilino)propanoate CAS Name: 3-(4-bromo-2-nitroanilino)propanoate IUPAC Name: 3-(4-bromo-2-nitroanilino)propanoate Traditional Name: 3-(4-bromo-2-nitro-anilino)propionate Formula: C9H8BrN2O4- MolecularWeight: 288.07482

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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)/p-1