ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylmethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylmethyl]triazole-4-carboxylate CAS Name: 5-methyl-1-[(4-nitrophenyl)sulfonylmethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylmethyl]triazole-4-carboxylate Traditional Name: 5-methyl-1-(nosylmethyl)triazole-4-carboxylic acid ethyl ester Formula: C13H14N4O6S MolecularWeight: 354.33846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O6S/c1-3-23-13(18)12-9(2)16(15-14-12)8-24(21,22)11-6-4-10(5-7-11)17(19)20/h4-7H,3,8H2,1-2H3