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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-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 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [3-(3-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=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

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

InChI

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