4-chloranyl-1-ethyl-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-1-ethyl-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 4-chloro-1-ethyl-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 4-chloro-1-ethyl-N-(2-hydroxy-5-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 4-chloro-1-ethyl-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 4-chloro-1-ethyl-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide Formula: C12H11ClN4O4 MolecularWeight: 310.69314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C12H11ClN4O4/c1-2-16-6-8(13)11(15-16)12(19)14-9-5-7(17(20)21)3-4-10(9)18/h3-6,18H,2H2,1H3,(H,14,19)