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

Systemtic Name: 4,5-bis(bromanyl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-3-carboxamide Formula: C18H14Br2N4O4 MolecularWeight: 510.13616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3Br)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3Br)Br)C

InChI

InChI=1S/C18H14Br2N4O4/c1-9-3-10(2)5-13(4-9)28-14-7-11(6-12(8-14)24(26)27)21-18(25)16-15(19)17(20)23-22-16/h3-8H,1-2H3,(H,21,25)(H,22,23)