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

Systemtic Name: 5-chloranyl-N-[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-nitro-benzamide Formula: C16H13ClN6O4 MolecularWeight: 388.76522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN6O4/c1-8-6-14(24)20-16(18-8)22-13(5-9(2)21-22)19-15(25)11-7-10(17)3-4-12(11)23(26)27/h3-7H,1-2H3,(H,19,25)(H,18,20,24)