5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3-(5-methyl-1-pyrazolyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]-2-furamide Formula: C16H17BrN6O4 MolecularWeight: 437.24798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCCNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=NN1CCCNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN6O4/c1-11-5-7-19-22(11)8-2-6-18-16(24)14-4-3-12(27-14)9-21-10-13(17)15(20-21)23(25)26/h3-5,7,10H,2,6,8-9H2,1H3,(H,18,24)