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

Systemtic Name: methyl 2-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H14N4O6S MolecularWeight: 354.33846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O6S/c1-7-4-8(13(19)23-3)12(24-7)14-10(18)6-16-5-9(17(20)21)11(15-16)22-2/h4-5H,6H2,1-3H3,(H,14,18)