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2-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]propanedioic acid

2-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]propanedioic acid

Systemtic Name:2-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]propanedioic acid
Openeye Name:2-[2-(2-amino-3-hydroxy-3-oxo-propyl)phenoxy]propanedioic acid
CAS Name:2-[2-(2-amino-3-hydroxy-3-oxopropyl)phenoxy]propanedioic acid
IUPAC Name:2-[2-(2-amino-3-hydroxy-3-oxopropyl)phenoxy]propanedioic acid
Traditional Name:2-[2-(2-amino-3-hydroxy-3-keto-propyl)phenoxy]malonic acid
Formula: C12H13NO7
MolecularWeight: 283.23412
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13NO7/c13-7(10(14)15)5-6-3-1-2-4-8(6)20-9(11(16)17)12(18)19/h1-4,7,9H,5,13H2,(H,14,15)(H,16,17)(H,18,19)


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