5-bromanyl-2-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 5-bromo-2-[(5-hydroxy-5-oxo-pentanoyl)amino]benzoic acid CAS Name: 5-bromo-2-[(5-hydroxy-1,5-dioxopentyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-hydroxy-5-oxopentanoyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(5-hydroxy-5-keto-pentanoyl)amino]benzoic acid Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=O)CCCC(=O)O

InChI

InChI=1S/C12H12BrNO5/c13-7-4-5-9(8(6-7)12(18)19)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)