2-[[4-[(4-bromanyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-bromanyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-bromo-3-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-bromo-3-nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-bromo-3-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C15H12BrN3O7S MolecularWeight: 458.24068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C15H12BrN3O7S/c16-12-6-1-9(7-13(12)19(23)24)15(22)18-10-2-4-11(5-3-10)27(25,26)17-8-14(20)21/h1-7,17H,8H2,(H,18,22)(H,20,21)