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

Systemtic Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O6/c1-10(27-18(23)14-8-5-12(19)9-15(14)22(24)25)16-20-21-17(28-16)11-3-6-13(26-2)7-4-11/h3-10H,1-2H3