N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(2-chloranyl-4-nitro-phenoxy)ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-(2-chloranyl-4-nitro-phenoxy)ethanamide Openeye Name: N-butyl-2-(2-chloro-4-nitro-phenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: N-butyl-2-(2-chloro-4-nitrophenoxy)-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: N-butyl-2-(2-chloro-4-nitrophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-butyl-2-(2-chloro-4-nitro-phenoxy)-N-(1,1-diketothiolan-3-yl)acetamide Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H21ClN2O6S/c1-2-3-7-18(13-6-8-26(23,24)11-13)16(20)10-25-15-5-4-12(19(21)22)9-14(15)17/h4-5,9,13H,2-3,6-8,10-11H2,1H3