4-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]butanoyl chloride

Systemtic Name: 4-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]butanoyl chloride Openeye Name: 4-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]butanoyl chloride CAS Name: 4-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]butanoyl chloride IUPAC Name: 4-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]butanoyl chloride Traditional Name: 4-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]butyryl chloride Formula: C13H12BrClN4O5 MolecularWeight: 419.61518

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)NCCCC(=O)Cl)CN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(OC(=C1)C(=O)NCCCC(=O)Cl)CN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrClN4O5/c14-9-7-18(17-12(9)19(22)23)6-8-3-4-10(24-8)13(21)16-5-1-2-11(15)20/h3-4,7H,1-2,5-6H2,(H,16,21)