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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCN2C(=C(C=N2)[N+](=O)[O-])C)C(=O)OC

InChI

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