5-bromanyl-2-[[3-(4-nitrophenoxy)phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[3-(4-nitrophenoxy)phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[3-(4-nitrophenoxy)benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[3-(4-nitrophenoxy)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[3-(4-nitrophenoxy)benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[3-(4-nitrophenoxy)benzoyl]amino]benzoic acid Formula: C20H13BrN2O6 MolecularWeight: 457.23102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H13BrN2O6/c21-13-4-9-18(17(11-13)20(25)26)22-19(24)12-2-1-3-16(10-12)29-15-7-5-14(6-8-15)23(27)28/h1-11H,(H,22,24)(H,25,26)