dimethyl 3-methyl-5-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C13H12N4O7S MolecularWeight: 368.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NN2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=NN2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N4O7S/c1-5-8(12(19)23-2)11(25-9(5)13(20)24-3)14-10(18)6-4-7(16-15-6)17(21)22/h4H,1-3H3,(H,14,18)(H,15,16)