2-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-bromo-3,5-dinitro-benzoyl)amino]acetic acid CAS Name: 2-[[(4-bromo-3,5-dinitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-bromo-3,5-dinitrobenzoyl)amino]acetic acid Traditional Name: 2-[(4-bromo-3,5-dinitro-benzoyl)amino]acetic acid Formula: C9H6BrN3O7 MolecularWeight: 348.06384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6BrN3O7/c10-8-5(12(17)18)1-4(2-6(8)13(19)20)9(16)11-3-7(14)15/h1-2H,3H2,(H,11,16)(H,14,15)