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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-cyano-4-nitro-phenyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-cyano-4-nitro-phenyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(2-cyano-4-nitrophenyl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-cyano-4-nitrophenyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-cyano-4-nitro-phenyl)-2-furamide Formula: C16H9BrN6O6 MolecularWeight: 461.18326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN6O6/c17-12-8-21(20-15(12)23(27)28)7-11-2-4-14(29-11)16(24)19-13-3-1-10(22(25)26)5-9(13)6-18/h1-5,8H,7H2,(H,19,24)