1-[(4-bromanylpyrazol-1-yl)methyl]-N-(3-methoxy-5-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-(3-methoxy-5-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-methoxy-5-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-(3-methoxy-5-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-methoxy-5-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(3-methoxy-5-nitro-phenyl)pyrazole-3-carboxamide Formula: C15H13BrN6O4 MolecularWeight: 421.20552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C15H13BrN6O4/c1-26-13-5-11(4-12(6-13)22(24)25)18-15(23)14-2-3-20(19-14)9-21-8-10(16)7-17-21/h2-8H,9H2,1H3,(H,18,23)