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

Systemtic Name: methyl 2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H13ClN4O5S MolecularWeight: 372.78412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O5S/c1-6-4-8(13(20)23-3)12(24-6)15-9(19)5-17-7(2)10(14)11(16-17)18(21)22/h4H,5H2,1-3H3,(H,15,19)