5-bromanyl-2-[2-(2,4-dinitrophenoxy)ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(2,4-dinitrophenoxy)ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(2,4-dinitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzoic acid Formula: C15H10BrN3O8 MolecularWeight: 440.1592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H10BrN3O8/c16-8-1-3-11(10(5-8)15(21)22)17-14(20)7-27-13-4-2-9(18(23)24)6-12(13)19(25)26/h1-6H,7H2,(H,17,20)(H,21,22)