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

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-bromo-3-nitro-benzoyl)amino]terephthalic acid CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-bromo-3-nitrobenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]terephthalic acid Formula: C15H9BrN2O7 MolecularWeight: 409.14516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrN2O7/c16-10-4-2-7(6-12(10)18(24)25)13(19)17-11-5-8(14(20)21)1-3-9(11)15(22)23/h1-6H,(H,17,19)(H,20,21)(H,22,23)