(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-nitrobenzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-nitrobenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C16H11N3O5 MolecularWeight: 325.27564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5/c20-16(12-8-4-5-9-13(12)19(21)22)23-10-14-17-18-15(24-14)11-6-2-1-3-7-11/h1-9H,10H2