N-(2-cyano-4-nitro-phenyl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C12H8IN5O3 MolecularWeight: 397.12809

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)I

InChI

InChI=1S/C12H8IN5O3/c1-17-6-9(13)11(16-17)12(19)15-10-3-2-8(18(20)21)4-7(10)5-14/h2-4,6H,1H3,(H,15,19)