O2-ethyl O4-methyl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C16H17N5O9S MolecularWeight: 455.39928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)OC)C

InChI

InChI=1S/C16H17N5O9S/c1-5-30-16(24)12-7(2)10(15(23)29-4)14(31-12)17-9(22)6-19-8(3)11(20(25)26)13(18-19)21(27)28/h5-6H2,1-4H3,(H,17,22)