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

Systemtic Name: N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C18H18N6O4 MolecularWeight: 382.37332

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4/c1-4-14-11(3)19-18(21-17(14)26)23-15(9-10(2)22-23)20-16(25)12-5-7-13(8-6-12)24(27)28/h5-9H,4H2,1-3H3,(H,20,25)(H,19,21,26)