(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (3-ethyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (3-ethyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)COC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCC1=NOC(=N1)COC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O5/c1-3-10-14-11(21-15-10)7-20-13(17)12-8(2)5-4-6-9(12)16(18)19/h4-6H,3,7H2,1-2H3