1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-nitrobenzoate

Systemtic Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-nitrobenzoate Openeye Name: 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-nitrobenzoate CAS Name: 3-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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-11(26-18(22)13-4-3-5-14(10-13)21(23)24)16-19-20-17(27-16)12-6-8-15(25-2)9-7-12/h3-11H,1-2H3