N-(2-bromanyl-4-methyl-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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