2-(3-azanyl-3-oxidanylidene-propyl)-2-phenoxy-propanedioic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-2-phenoxy-propanedioic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-2-phenoxy-propanedioic acid CAS Name: 2-(3-amino-3-oxopropyl)-2-phenoxypropanedioic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-2-phenoxypropanedioic acid Traditional Name: 2-(3-amino-3-keto-propyl)-2-phenoxy-malonic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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