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

Systemtic Name: methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O5S/c1-7-5-10(14(20)23-4)13(24-7)15-11(19)6-17-9(3)12(18(21)22)8(2)16-17/h5H,6H2,1-4H3,(H,15,19)