ethyl 2-chloranyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-ethanoate

Systemtic Name: ethyl 2-chloranyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-ethanoate Openeye Name: ethyl 2-chloro-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-acetate CAS Name: 2-chloro-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroacetic acid ethyl ester IUPAC Name: ethyl 2-chloro-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroacetate Traditional Name: 2-chloro-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-acetic acid ethyl ester Formula: C13H12ClN3O6 MolecularWeight: 341.70388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=NO1)C2=CC=C(C=C2)OC)([N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C(C1=NC(=NO1)C2=CC=C(C=C2)OC)([N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O6/c1-3-22-12(18)13(14,17(19)20)11-15-10(16-23-11)8-4-6-9(21-2)7-5-8/h4-7H,3H2,1-2H3