ethyl 5-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H15BrN6O6 MolecularWeight: 467.2309

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H15BrN6O6/c1-3-28-16(25)10-6-18-21(2)13(10)19-15(24)12-5-4-9(29-12)7-22-8-11(17)14(20-22)23(26)27/h4-6,8H,3,7H2,1-2H3,(H,19,24)