5-bromanyl-2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]benzoic acid Openeye Name: 5-bromo-2-[(3-ethoxy-3-oxo-propanoyl)amino]benzoic acid CAS Name: 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(3-ethoxy-3-keto-propanoyl)amino]benzoic acid Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H12BrNO5/c1-2-19-11(16)6-10(15)14-9-4-3-7(13)5-8(9)12(17)18/h3-5H,2,6H2,1H3,(H,14,15)(H,17,18)