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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C(=NN2C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C(=NN2C)C)Br

InChI

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