2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 2-[[3,4-bis(oxidanyl)phenyl]amino]propanoic acid

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 2-[[3,4-bis(oxidanyl)phenyl]amino]propanoic acid Openeye Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-(3,4-dihydroxyanilino)propanoic acid CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-(3,4-dihydroxyanilino)propanoic acid IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-(3,4-dihydroxyanilino)propanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid; 2-(3,4-dihydroxyanilino)propionic acid Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC(=C(C=C1)O)O.C1=CC(=C(C=C1CC(C(=O)O)N)O)O

Isomeric SMILES

CC(C(=O)O)NC1=CC(=C(C=C1)O)O.C1=CC(=C(C=C1CC(C(=O)O)N)O)O

InChI

InChI=1S/2C9H11NO4/c1-5(9(13)14)10-6-2-3-7(11)8(12)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-5,10-12H,1H3,(H,13,14);1-2,4,6,11-12H,3,10H2,(H,13,14)