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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-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 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N3O7S MolecularWeight: 391.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13N3O7S/c1-23-11-6-9(10(19(21)22)7-12(11)24-2)16(20)25-8-14-17-15(18-26-14)13-4-3-5-27-13/h3-7H,8H2,1-2H3