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

Systemtic Name: dimethyl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C13H11BrN4O7S MolecularWeight: 447.21804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C(=O)OC

InChI

InChI=1S/C13H11BrN4O7S/c1-4-5(12(20)24-2)11(26-8(4)13(21)25-3)15-10(19)7-6(14)9(17-16-7)18(22)23/h1-3H3,(H,15,19)(H,16,17)