5-[(3-methyl-4-nitro-phenoxy)methyl]-N-octadecyl-furan-2-carboxamide

Systemtic Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]-N-octadecyl-furan-2-carboxamide Openeye Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]-N-octadecyl-furan-2-carboxamide CAS Name: 5-[(3-methyl-4-nitrophenoxy)methyl]-N-octadecyl-2-furancarboxamide IUPAC Name: 5-[(3-methyl-4-nitrophenoxy)methyl]-N-octadecylfuran-2-carboxamide Traditional Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]-N-stearyl-2-furamide Formula: C31H48N2O5 MolecularWeight: 528.72322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(O1)COC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(O1)COC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C31H48N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-31(34)30-22-20-28(38-30)25-37-27-19-21-29(33(35)36)26(2)24-27/h19-22,24H,3-18,23,25H2,1-2H3,(H,32,34)