N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanamide Openeye Name: 2-(2-allyl-4-nitro-phenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-nitro-2-prop-2-enylphenoxy)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitro-2-prop-2-enylphenoxy)acetamide Traditional Name: 2-(2-allyl-4-nitro-phenoxy)-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)N[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C15H18N2O6S/c1-2-3-11-8-13(17(19)20)4-5-14(11)23-9-15(18)16-12-6-7-24(21,22)10-12/h2,4-5,8,12H,1,3,6-7,9-10H2,(H,16,18)/t12-/m0/s1