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

Systemtic Name: 2-[[4-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-bromo-3,5-dinitro-benzoyl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(4-bromo-3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(4-bromo-3,5-dinitrobenzoyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(4-bromo-3,5-dinitro-benzoyl)amino]benzoyl]amino]acetic acid Formula: C16H11BrN4O8 MolecularWeight: 467.18454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN4O8/c17-14-11(20(26)27)5-9(6-12(14)21(28)29)16(25)19-10-3-1-8(2-4-10)15(24)18-7-13(22)23/h1-6H,7H2,(H,18,24)(H,19,25)(H,22,23)