dimethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H15BrN4O7S MolecularWeight: 475.2712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)OC

InChI

InChI=1S/C15H15BrN4O7S/c1-7-10(14(22)26-2)13(28-11(7)15(23)27-3)17-9(21)4-5-19-6-8(16)12(18-19)20(24)25/h6H,4-5H2,1-3H3,(H,17,21)