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

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-methyl-3,5-dinitrophenyl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)-2-furamide Formula: C18H16BrN5O6 MolecularWeight: 478.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN5O6/c1-9-14(23(26)27)6-12(7-15(9)24(28)29)20-18(25)16-5-4-13(30-16)8-22-11(3)17(19)10(2)21-22/h4-7H,8H2,1-3H3,(H,20,25)