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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

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