4-azanyl-2,3-bis[[3,4-bis(oxidanyl)phenyl]methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2,3-bis[[3,4-bis(oxidanyl)phenyl]methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2,3-bis[(3,4-dihydroxyphenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-amino-2,3-bis[(3,4-dihydroxyphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-amino-2,3-bis[(3,4-dihydroxyphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2,3-diprotocatechuyl-butyric acid Formula: C18H19NO7 MolecularWeight: 361.34596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(CC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(CC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)N)O)O

InChI

InChI=1S/C18H19NO7/c19-17(24)11(5-9-1-3-13(20)15(22)7-9)12(18(25)26)6-10-2-4-14(21)16(23)8-10/h1-4,7-8,11-12,20-23H,5-6H2,(H2,19,24)(H,25,26)