1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methyl-3-nitro-benzoate

Systemtic Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methyl-3-nitro-benzoate Openeye Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-8-9-14(10-15(11)21(23)24)18(22)25-12(2)16-19-20-17(26-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3