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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)O)C

InChI

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