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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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