ethyl 2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H13ClN4O6S MolecularWeight: 400.79422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O6S/c1-4-25-14(22)7-5(2)10(6(3)20)26-13(7)16-12(21)9-8(15)11(18-17-9)19(23)24/h4H2,1-3H3,(H,16,21)(H,17,18)