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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4/c1-3-5-13-10-16(25)21-18(19-13)23-15(8-11(2)22-23)20-17(26)12-6-4-7-14(9-12)24(27)28/h4,6-10H,3,5H2,1-2H3,(H,20,26)(H,19,21,25)