diethyl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H19N5O9S MolecularWeight: 469.42586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H19N5O9S/c1-5-30-16(24)11-8(3)13(17(25)31-6-2)32-15(11)18-10(23)7-20-9(4)12(21(26)27)14(19-20)22(28)29/h5-7H2,1-4H3,(H,18,23)