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

Systemtic Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5/c1-10-8-11(6-7-14(10)21(23)24)17(22)25-9-15-19-16(20-26-15)12-4-2-3-5-13(12)18/h2-8H,9H2,1H3