[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-methyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-methyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-methylthiadiazole-5-carboxylate CAS Name: 4-methyl-5-thiadiazolecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate Traditional Name: 4-methylthiadiazole-5-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SN=N1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O5S/c1-7-11(21-14-13-7)12(17)20-6-10(16)8-3-2-4-9(5-8)15(18)19/h2-5H,6H2,1H3