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

Systemtic Name: ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylamino]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylamino]triazole-4-carboxylate CAS Name: 5-methyl-1-[(4-nitrophenyl)sulfonylamino]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[(4-nitrophenyl)sulfonylamino]triazole-4-carboxylate Traditional Name: 5-methyl-1-(nosylamino)triazole-4-carboxylic acid ethyl ester Formula: C12H13N5O6S MolecularWeight: 355.32652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O6S/c1-3-23-12(18)11-8(2)16(14-13-11)15-24(21,22)10-6-4-9(5-7-10)17(19)20/h4-7,15H,3H2,1-2H3