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

Systemtic Name: 3-azanyl-2-[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenoxy]butanoic acid Openeye Name: 3-amino-2-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenoxy]butanoic acid CAS Name: 3-amino-2-[4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenoxy]butanoic acid IUPAC Name: 3-amino-2-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]butanoic acid Traditional Name: 3-amino-2-[4-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-hydroxy-phenoxy]butyric acid Formula: C19H17NO8 MolecularWeight: 387.34018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)N

Isomeric SMILES

CC(C(C(=O)O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)N

InChI

InChI=1S/C19H17NO8/c1-8(20)18(19(25)26)28-14-3-2-9(4-11(14)22)15-7-13(24)17-12(23)5-10(21)6-16(17)27-15/h2-8,18,21-23H,20H2,1H3,(H,25,26)