4-bromanyl-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(2-furyl)-1-methyl-propyl]-N-methyl-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-(2-furanyl)butan-2-yl]-N-methyl-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(2-furyl)-1-methyl-propyl]-N-methyl-3-nitro-1H-pyrazole-5-carboxamide Formula: C13H15BrN4O4 MolecularWeight: 371.1866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)N(C)C(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

CC(CCC1=CC=CO1)N(C)C(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H15BrN4O4/c1-8(5-6-9-4-3-7-22-9)17(2)13(19)11-10(14)12(16-15-11)18(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)