4-bromanyl-N-(2,6-dimethylphenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(2,6-dimethylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(2,6-dimethylphenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(2,6-dimethylphenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(2,6-dimethylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(2,6-dimethylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN4O3/c1-6-4-3-5-7(2)9(6)14-12(18)10-8(13)11(16-15-10)17(19)20/h3-5H,1-2H3,(H,14,18)(H,15,16)