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

Systemtic Name: N-[5-(furan-2-yl)-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-(2-furyl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-(2-furanyl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-(furan-2-yl)-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-(2-furyl)-2-(4-keto-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-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=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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