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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C)C(=O)OC

InChI

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