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

Systemtic Name: 5-[(2-chloranyl-5-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide Openeye Name: 5-[(2-chloro-5-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide CAS Name: 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-mercaptoethyl)-2-furancarboxamide IUPAC Name: 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide Traditional Name: 5-[(2-chloro-5-nitro-phenoxy)methyl]-N-(2-mercaptoethyl)-2-furamide Formula: C14H13ClN2O5S MolecularWeight: 356.78142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=C(O2)C(=O)NCCS)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=C(O2)C(=O)NCCS)Cl

InChI

InChI=1S/C14H13ClN2O5S/c15-11-3-1-9(17(19)20)7-13(11)21-8-10-2-4-12(22-10)14(18)16-5-6-23/h1-4,7,23H,5-6,8H2,(H,16,18)