N-[2,6-bis(bromanyl)-4-nitro-phenyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-5-[(4-sec-butylphenoxy)methyl]furan-2-carboxamide CAS Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)-2-furancarboxamide IUPAC Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-5-[(4-sec-butylphenoxy)methyl]-2-furamide Formula: C22H20Br2N2O5 MolecularWeight: 552.2126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

InChI

InChI=1S/C22H20Br2N2O5/c1-3-13(2)14-4-6-16(7-5-14)30-12-17-8-9-20(31-17)22(27)25-21-18(23)10-15(26(28)29)11-19(21)24/h4-11,13H,3,12H2,1-2H3,(H,25,27)