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

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H9Cl2N3O5 MolecularWeight: 394.16576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H9Cl2N3O5/c17-11-4-1-9(2-5-11)15-19-14(26-20-15)8-25-16(22)10-3-6-12(18)13(7-10)21(23)24/h1-7H,8H2