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

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-(2-furyl)-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Formula: C20H16N6O5 MolecularWeight: 420.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H16N6O5/c1-11-12(2)21-20(23-18(11)27)25-17(10-15(24-25)16-7-4-8-31-16)22-19(28)13-5-3-6-14(9-13)26(29)30/h3-10H,1-2H3,(H,22,28)(H,21,23,27)