2-azanyl-3-[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenoxy]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenoxy]propanoic acid Openeye Name: 2-amino-3-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenoxy]propanoic acid CAS Name: 2-amino-3-[4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenoxy]propanoic acid IUPAC Name: 2-amino-3-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]propanoic acid Traditional Name: 2-amino-3-[4-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenoxy]propionic acid Formula: C18H15NO8 MolecularWeight: 373.3136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OCC(C(=O)O)N

InChI

InChI=1S/C18H15NO8/c19-10(18(24)25)7-26-14-2-1-8(3-11(14)21)15-6-13(23)17-12(22)4-9(20)5-16(17)27-15/h1-6,10,20-22H,7,19H2,(H,24,25)