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

Systemtic Name: N-[3-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C20H16BrN7O5 MolecularWeight: 514.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H16BrN7O5/c1-26-8-7-16(24-26)19(29)22-12-3-2-4-13(9-12)23-20(30)17-6-5-14(33-17)10-27-11-15(21)18(25-27)28(31)32/h2-9,11H,10H2,1H3,(H,22,29)(H,23,30)