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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6/c1-11-8-13(6-7-15(11)21(23)24)18(22)26-10-16-19-17(20-27-16)12-4-3-5-14(9-12)25-2/h3-9H,10H2,1-2H3