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

Systemtic Name: N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-4-nitro-benzamide Formula: C21H18N6O5 MolecularWeight: 434.40482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N6O5/c1-3-15-12(2)22-21(24-20(15)29)26-18(11-16(25-26)17-5-4-10-32-17)23-19(28)13-6-8-14(9-7-13)27(30)31/h4-11H,3H2,1-2H3,(H,23,28)(H,22,24,29)