2-(4-azanyl-3-ethyl-phenyl)-2-oxidanyl-propanedioic acid

Systemtic Name: 2-(4-azanyl-3-ethyl-phenyl)-2-oxidanyl-propanedioic acid Openeye Name: 2-(4-amino-3-ethyl-phenyl)-2-hydroxy-propanedioic acid CAS Name: 2-(4-amino-3-ethylphenyl)-2-hydroxypropanedioic acid IUPAC Name: 2-(4-amino-3-ethylphenyl)-2-hydroxypropanedioic acid Traditional Name: 2-(4-amino-3-ethyl-phenyl)-2-hydroxy-malonic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)(C(=O)O)O)N

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)(C(=O)O)O)N

InChI

InChI=1S/C11H13NO5/c1-2-6-5-7(3-4-8(6)12)11(17,9(13)14)10(15)16/h3-5,17H,2,12H2,1H3,(H,13,14)(H,15,16)