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

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-furylmethyl)pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-N-(2-furanylmethyl)-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-furfuryl)pyrazole-3-carboxamide Formula: C17H18BrN7O5 MolecularWeight: 480.27272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H18BrN7O5/c1-2-23-10-13(15(21-23)17(27)19-8-11-4-3-7-30-11)20-14(26)5-6-24-9-12(18)16(22-24)25(28)29/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,27)(H,20,26)