4-chloranyl-N-(2-cyano-4-nitro-phenyl)-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-(2-cyano-4-nitro-phenyl)-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-(2-cyano-4-nitro-phenyl)-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-(2-cyano-4-nitrophenyl)-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-(2-cyano-4-nitrophenyl)-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-(2-cyano-4-nitro-phenyl)-1,5-dimethyl-pyrazole-3-carboxamide Formula: C13H10ClN5O3 MolecularWeight: 319.7032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C13H10ClN5O3/c1-7-11(14)12(17-18(7)2)13(20)16-10-4-3-9(19(21)22)5-8(10)6-15/h3-5H,1-2H3,(H,16,20)