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

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methylamino]ethanoic acid Openeye Name: 2-[(3,4-dihydroxyphenyl)methylamino]acetic acid CAS Name: 2-[(3,4-dihydroxyphenyl)methylamino]acetic acid IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylamino]acetic acid Traditional Name: 2-(protocatechuylamino)acetic acid Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNCC(=O)O)O)O

InChI

InChI=1S/C9H11NO4/c11-7-2-1-6(3-8(7)12)4-10-5-9(13)14/h1-3,10-12H,4-5H2,(H,13,14)