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

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[(3,4-dihydroxybenzoyl)amino]acetic acid CAS Name: 2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3,4-dihydroxybenzoyl)amino]acetic acid Traditional Name: 2-(protocatechuoylamino)acetic acid Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCC(=O)O)O)O

InChI

InChI=1S/C9H9NO5/c11-6-2-1-5(3-7(6)12)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)