4,5-bis(bromanyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-3-carboxamide Formula: C19H16Br2N4O4 MolecularWeight: 524.16274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N4O4/c1-9-4-10(2)11(3)15(5-9)29-14-7-12(6-13(8-14)25(27)28)22-19(26)17-16(20)18(21)24-23-17/h4-8H,1-3H3,(H,22,26)(H,23,24)