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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-methylthiadiazole-5-carboxylate CAS Name: 4-methyl-5-thiadiazolecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate Traditional Name: 4-methylthiadiazole-5-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SN=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c1-7-11(22-15-14-7)12(18)21-6-10(17)13-8-2-4-9(5-3-8)16(19)20/h2-5H,6H2,1H3,(H,13,17)