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

Systemtic Name: 4-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-keto-butyric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNC(=O)CCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCNC(=O)CCC(=O)O)O)O

InChI

InChI=1S/C12H15NO5/c14-9-2-1-8(7-10(9)15)5-6-13-11(16)3-4-12(17)18/h1-2,7,14-15H,3-6H2,(H,13,16)(H,17,18)