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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C14H8ClN3O5S MolecularWeight: 365.74842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C14H8ClN3O5S/c15-9-1-2-10(11(5-9)18(20)21)14(19)22-6-12-16-13(17-23-12)8-3-4-24-7-8/h1-5,7H,6H2