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

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C20H14BrClN6O4 MolecularWeight: 517.71996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)Cl

InChI

InChI=1S/C20H14BrClN6O4/c21-13-10-23-27(11-13)12-26-6-5-19(25-26)20(29)24-15-7-16(28(30)31)9-18(8-15)32-17-3-1-14(22)2-4-17/h1-11H,12H2,(H,24,29)