methyl 5-methyl-2-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=C(C=C(S2)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=C(C=C(S2)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c1-8-6-11(18(21)22)16-17(8)5-4-12(19)15-13-10(14(20)23-3)7-9(2)24-13/h6-7H,4-5H2,1-3H3,(H,15,19)