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

Systemtic Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloranyl-2-nitro-benzoate Openeye Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [3-(3-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(=C1)Cl)C2=NOC(=N2)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NOC(=N2)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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