methyl 3-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C10H9N5O5S MolecularWeight: 311.27396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O5S/c1-20-9(17)8-6(2-3-21-8)12-7(16)4-14-5-11-10(13-14)15(18)19/h2-3,5H,4H2,1H3,(H,12,16)