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

Systemtic Name: 5-chloranyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O4/c1-4-12-10(3)20-18(22-16(12)26)24-15(7-9(2)23-24)21-17(27)13-8-11(19)5-6-14(13)25(28)29/h5-8H,4H2,1-3H3,(H,21,27)(H,20,22,26)