N-(4-chloranyl-6-methoxy-2-phenyl-pyrimidin-5-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-chloranyl-6-methoxy-2-phenyl-pyrimidin-5-yl)-3,5-dinitro-benzamide Openeye Name: N-(4-chloro-6-methoxy-2-phenyl-pyrimidin-5-yl)-3,5-dinitro-benzamide CAS Name: N-(4-chloro-6-methoxy-2-phenyl-5-pyrimidinyl)-3,5-dinitrobenzamide IUPAC Name: N-(4-chloro-6-methoxy-2-phenylpyrimidin-5-yl)-3,5-dinitrobenzamide Traditional Name: N-(4-chloro-6-methoxy-2-phenyl-pyrimidin-5-yl)-3,5-dinitro-benzamide Formula: C18H12ClN5O6 MolecularWeight: 429.77078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=N1)C2=CC=CC=C2)Cl)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=NC(=N1)C2=CC=CC=C2)Cl)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN5O6/c1-30-18-14(15(19)21-16(22-18)10-5-3-2-4-6-10)20-17(25)11-7-12(23(26)27)9-13(8-11)24(28)29/h2-9H,1H3,(H,20,25)