O2-ethyl O4-propyl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C16H17BrN4O7S MolecularWeight: 489.29778

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN4O7S/c1-4-6-28-15(23)8-7(3)11(16(24)27-5-2)29-14(8)18-13(22)10-9(17)12(20-19-10)21(25)26/h4-6H2,1-3H3,(H,18,22)(H,19,20)