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

Systemtic Name: methyl 5-methyl-2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C13H13N5O7S MolecularWeight: 383.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C13H13N5O7S/c1-6-4-8(13(20)25-3)12(26-6)14-9(19)5-16-7(2)10(17(21)22)11(15-16)18(23)24/h4H,5H2,1-3H3,(H,14,19)