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

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C21H16BrClN6O4 MolecularWeight: 531.74654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)Cl

InChI

InChI=1S/C21H16BrClN6O4/c1-13-6-17(2-3-19(13)23)33-18-8-15(7-16(9-18)29(31)32)25-21(30)20-4-5-27(26-20)12-28-11-14(22)10-24-28/h2-11H,12H2,1H3,(H,25,30)