2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]ethanoic acid

Systemtic Name: 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]ethanoic acid Openeye Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]acetic acid CAS Name: 2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]acetic acid Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]acetic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)NCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)NCC(=O)O)O)O

InChI

InChI=1S/C11H13NO5/c13-8-3-1-7(5-9(8)14)2-4-10(15)12-6-11(16)17/h1,3,5,13-14H,2,4,6H2,(H,12,15)(H,16,17)