2-[2-(acetyloxymethyl)-4-(2-azidoethanoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(acetyloxymethyl)-4-(2-azidoethanoyl)phenoxy]ethanoic acid Openeye Name: 2-[2-(acetoxymethyl)-4-(2-azidoacetyl)phenoxy]acetic acid CAS Name: 2-[2-(acetyloxymethyl)-4-(2-azido-1-oxoethyl)phenoxy]acetic acid IUPAC Name: 2-[2-(acetyloxymethyl)-4-(2-azidoacetyl)phenoxy]acetic acid Traditional Name: 2-[2-(acetoxymethyl)-4-(2-azidoacetyl)phenoxy]acetic acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(=O)CN=[N+]=[N-])OCC(=O)O

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(=O)CN=[N+]=[N-])OCC(=O)O

InChI

InChI=1S/C13H13N3O6/c1-8(17)21-6-10-4-9(11(18)5-15-16-14)2-3-12(10)22-7-13(19)20/h2-4H,5-7H2,1H3,(H,19,20)