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

Systemtic Name: 5-chloranyl-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Formula: C17H15ClN6O4 MolecularWeight: 402.7918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN6O4/c1-3-11-8-15(25)21-17(19-11)23-14(6-9(2)22-23)20-16(26)12-7-10(18)4-5-13(12)24(27)28/h4-8H,3H2,1-2H3,(H,20,26)(H,19,21,25)