N-[5-(furan-2-yl)-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-(furan-2-yl)-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-(2-furyl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-(2-furanyl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-(furan-2-yl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(2-furyl)-2-(4-keto-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O5/c1-3-5-15-11-20(29)25-22(23-15)27-19(12-16(26-27)18-6-4-9-33-18)24-21(30)14-8-7-13(2)17(10-14)28(31)32/h4,6-12H,3,5H2,1-2H3,(H,24,30)(H,23,25,29)