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

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-octadecyl-furan-2-carboxamide Openeye Name: 5-[(2-chloro-4-nitro-phenoxy)methyl]-N-octadecyl-furan-2-carboxamide CAS Name: 5-[(2-chloro-4-nitrophenoxy)methyl]-N-octadecyl-2-furancarboxamide IUPAC Name: 5-[(2-chloro-4-nitrophenoxy)methyl]-N-octadecylfuran-2-carboxamide Traditional Name: 5-[(2-chloro-4-nitro-phenoxy)methyl]-N-stearyl-2-furamide Formula: C30H45ClN2O5 MolecularWeight: 549.1417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45ClN2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-30(34)29-21-19-26(38-29)24-37-28-20-18-25(33(35)36)23-27(28)31/h18-21,23H,2-17,22,24H2,1H3,(H,32,34)