3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl 5-chloranyl-2-nitro-benzoate Openeye Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl ester IUPAC Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O5S/c17-10-5-6-12(20(22)23)11(9-10)16(21)24-7-1-4-14-18-15(19-25-14)13-3-2-8-26-13/h2-3,5-6,8-9H,1,4,7H2