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

Systemtic Name: 4-chloranyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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