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

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

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

Isomeric SMILES

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

InChI

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