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

Systemtic Name: methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-nitro-benzoate Openeye Name: methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-nitro-benzoate CAS Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzoate Traditional Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-nitro-benzoic acid methyl ester Formula: C16H10ClN3O5 MolecularWeight: 359.7207

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10ClN3O5/c1-24-16(21)10-4-7-12(13(8-10)20(22)23)15-18-14(19-25-15)9-2-5-11(17)6-3-9/h2-8H,1H3