[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C18H16N4O5/c1-11-5-3-4-6-13(11)17-20-16(27-21-17)10-26-18(23)14-9-12(22(24)25)7-8-15(14)19-2/h3-9,19H,10H2,1-2H3