1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-methoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O4/c1-10-16(18)11(2)23(20-10)9-22-7-6-14(21-22)17(25)19-13-5-4-12(28-3)8-15(13)24(26)27/h4-8H,9H2,1-3H3,(H,19,25)