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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-nitro-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-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 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C15H11N3O5S/c1-9-10(4-2-5-11(9)18(20)21)15(19)22-8-13-16-14(17-23-13)12-6-3-7-24-12/h2-7H,8H2,1H3