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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-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-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H11N3O6S MolecularWeight: 361.32934

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O6S/c1-22-11-5-4-9(7-10(11)18(20)21)15(19)23-8-13-16-14(17-24-13)12-3-2-6-25-12/h2-7H,8H2,1H3