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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]-2-furamide Formula: C22H16BrN5O7 MolecularWeight: 542.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrN5O7/c1-13-3-2-4-16(7-13)34-18-9-14(8-15(10-18)27(30)31)24-22(29)20-6-5-17(35-20)11-26-12-19(23)21(25-26)28(32)33/h2-10,12H,11H2,1H3,(H,24,29)