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

Systemtic Name: ethyl 4,5-dimethyl-2-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(3-nitro-1H-pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c1-4-22-13(19)10-6(2)7(3)23-12(10)14-11(18)8-5-9(16-15-8)17(20)21/h5H,4H2,1-3H3,(H,14,18)(H,15,16)