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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-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-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-2-23-12-6-5-10(8-11(12)19(21)22)16(20)24-9-14-17-15(18-25-14)13-4-3-7-26-13/h3-8H,2,9H2,1H3