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

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H13ClN4O5S MolecularWeight: 372.78412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O5S/c1-4-23-13(20)7-5(2)6(3)24-12(7)15-11(19)9-8(14)10(17-16-9)18(21)22/h4H2,1-3H3,(H,15,19)(H,16,17)