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

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-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=NN=C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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