5-bromanyl-2-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 5-bromo-2-[(4-ethoxy-4-oxo-butanoyl)amino]benzoic acid CAS Name: 5-bromo-2-[(4-ethoxy-1,4-dioxobutyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(4-ethoxy-4-keto-butanoyl)amino]benzoic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO5/c1-2-20-12(17)6-5-11(16)15-10-4-3-8(14)7-9(10)13(18)19/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,18,19)