ethyl 5-aminocarbonyl-2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H12BrN5O6S MolecularWeight: 446.23328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN5O6S/c1-3-25-13(22)5-4(2)8(9(15)20)26-12(5)16-11(21)7-6(14)10(18-17-7)19(23)24/h3H2,1-2H3,(H2,15,20)(H,16,21)(H,17,18)