ethyl 6-methyl-3-(5-nitrothiophen-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate

Systemtic Name: ethyl 6-methyl-3-(5-nitrothiophen-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate Openeye Name: ethyl 6-methyl-3-(5-nitro-2-thienyl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate CAS Name: 6-methyl-3-(5-nitro-2-thiophenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-3-(5-nitrothiophen-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylate Traditional Name: 6-methyl-3-(5-nitro-2-thienyl)-5H-pyrazolo[5,1-c][1,2,4]triazole-7-carboxylic acid ethyl ester Formula: C12H11N5O4S MolecularWeight: 321.31184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN2C1=NN=C2C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NN2C1=NN=C2C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N5O4S/c1-3-21-12(18)9-6(2)15-16-10(13-14-11(9)16)7-4-5-8(22-7)17(19)20/h4-5,15H,3H2,1-2H3