3-azanyl-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-pentanedioic acid

Systemtic Name: 3-azanyl-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-pentanedioic acid Openeye Name: 3-amino-2-[(4-hydroxyphenyl)methyl]-4-oxo-pentanedioic acid CAS Name: 3-amino-2-[(4-hydroxyphenyl)methyl]-4-oxopentanedioic acid IUPAC Name: 3-amino-2-[(4-hydroxyphenyl)methyl]-4-oxopentanedioic acid Traditional Name: 3-amino-2-(4-hydroxybenzyl)-4-keto-glutaric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c13-9(10(15)12(18)19)8(11(16)17)5-6-1-3-7(14)4-2-6/h1-4,8-9,14H,5,13H2,(H,16,17)(H,18,19)