N-(4-bromanyl-2-methyl-phenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O3/c1-3-17-7-11(18(20)21)12(16-17)13(19)15-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,15,19)