2-[4-(2-azidoethanoyl)-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenoxy]-2-ethyl-butanoate

Systemtic Name: 2-[4-(2-azidoethanoyl)-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenoxy]-2-ethyl-butanoate Openeye Name: 2-[4-(2-azidoacetyl)-2-(2-oxido-2-oxo-ethoxy)phenoxy]-2-ethyl-butanoate CAS Name: 2-[4-(2-azido-1-oxoethyl)-2-(2-oxido-2-oxoethoxy)phenoxy]-2-ethylbutanoate IUPAC Name: 2-[4-(2-azidoacetyl)-2-(2-oxido-2-oxoethoxy)phenoxy]-2-ethylbutanoate Traditional Name: 2-[4-(2-azidoacetyl)-2-(2-keto-2-oxido-ethoxy)phenoxy]-2-ethyl-butyrate Formula: C16H17N3O7-2 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])OC1=C(C=C(C=C1)C(=O)CN=[N+]=[N-])OCC(=O)[O-]

Isomeric SMILES

CCC(CC)(C(=O)[O-])OC1=C(C=C(C=C1)C(=O)CN=[N+]=[N-])OCC(=O)[O-]

InChI

InChI=1S/C16H19N3O7/c1-3-16(4-2,15(23)24)26-12-6-5-10(11(20)8-18-19-17)7-13(12)25-9-14(21)22/h5-7H,3-4,8-9H2,1-2H3,(H,21,22)(H,23,24)/p-2