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

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-furamide Formula: C25H23BrN4O5 MolecularWeight: 539.37792

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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)C)Br)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O5/c1-14-7-15(2)9-21(8-14)34-22-11-18(10-19(12-22)30(32)33)27-25(31)23-6-5-20(35-23)13-29-17(4)24(26)16(3)28-29/h5-12H,13H2,1-4H3,(H,27,31)