1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C16H15BrN6O3 MolecularWeight: 419.2327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C16H15BrN6O3/c1-10-15(17)11(2)22(19-10)9-21-8-7-14(20-21)16(24)18-12-3-5-13(6-4-12)23(25)26/h3-8H,9H2,1-2H3,(H,18,24)