4-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(2-hydroxy-2-keto-1-protocatechuyl-ethyl)amino]-4-keto-butyric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCC(=O)O)O)O

InChI

InChI=1S/C13H15NO7/c15-9-2-1-7(6-10(9)16)5-8(13(20)21)14-11(17)3-4-12(18)19/h1-2,6,8,15-16H,3-5H2,(H,14,17)(H,18,19)(H,20,21)