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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C14H14BrN5O6S MolecularWeight: 460.25986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN5O6S/c1-4(2)26-14(23)6-5(3)9(10(16)21)27-13(6)17-12(22)8-7(15)11(19-18-8)20(24)25/h4H,1-3H3,(H2,16,21)(H,17,22)(H,18,19)