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

Systemtic Name: 5-bromanyl-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 5-bromo-2-[(4-methoxy-4-oxo-butanoyl)amino]benzoic acid CAS Name: 5-bromo-2-[(4-methoxy-1,4-dioxobutyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(4-keto-4-methoxy-butanoyl)amino]benzoic acid Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO5/c1-19-11(16)5-4-10(15)14-9-3-2-7(13)6-8(9)12(17)18/h2-3,6H,4-5H2,1H3,(H,14,15)(H,17,18)