4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-N-(furan-2-ylmethyl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-N-(furan-2-ylmethyl)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-N-(2-furylmethyl)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-N-(2-furanylmethyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-N-(2-furfuryl)-1-methyl-pyrazole-3-carboxamide Formula: C16H16BrN7O5 MolecularWeight: 466.24614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H16BrN7O5/c1-22-9-12(14(20-22)16(26)18-7-10-3-2-6-29-10)19-13(25)4-5-23-8-11(17)15(21-23)24(27)28/h2-3,6,8-9H,4-5,7H2,1H3,(H,18,26)(H,19,25)