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

Systemtic Name: O2-ethyl O4-propan-2-yl 3-methyl-5-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 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-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 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-isopropyl ester Formula: C18H21N5O9S MolecularWeight: 483.45244

Click to see the large picture

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)C)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)C)C

InChI

InChI=1S/C18H21N5O9S/c1-6-31-18(26)14-9(4)12(17(25)32-8(2)3)16(33-14)19-11(24)7-21-10(5)13(22(27)28)15(20-21)23(29)30/h8H,6-7H2,1-5H3,(H,19,24)