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

Systemtic Name: 4-bromanyl-2,5-dimethyl-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(2-hydroxy-5-nitro-phenyl)-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2-hydroxy-5-nitrophenyl)-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(2-hydroxy-5-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2-hydroxy-5-nitro-phenyl)-2,5-dimethyl-pyrazole-3-carboxamide Formula: C12H11BrN4O4 MolecularWeight: 355.14414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C12H11BrN4O4/c1-6-10(13)11(16(2)15-6)12(19)14-8-5-7(17(20)21)3-4-9(8)18/h3-5,18H,1-2H3,(H,14,19)