4,5-bis(bromanyl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide Formula: C16H9Br2ClN4O4 MolecularWeight: 516.52806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3Br)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3Br)Br)Cl

InChI

InChI=1S/C16H9Br2ClN4O4/c17-13-14(21-22-15(13)18)16(24)20-9-5-10(23(25)26)7-12(6-9)27-11-3-1-8(19)2-4-11/h1-7H,(H,20,24)(H,21,22)