(3R)-N-(2-methyl-3-nitro-phenyl)-1,1-bis(oxidanylidene)thiolane-3-carboxamide

Systemtic Name: (3R)-N-(2-methyl-3-nitro-phenyl)-1,1-bis(oxidanylidene)thiolane-3-carboxamide Openeye Name: (3R)-N-(2-methyl-3-nitro-phenyl)-1,1-dioxo-thiolane-3-carboxamide CAS Name: (3R)-N-(2-methyl-3-nitrophenyl)-1,1-dioxo-3-thiolanecarboxamide IUPAC Name: (3R)-N-(2-methyl-3-nitrophenyl)-1,1-dioxothiolane-3-carboxamide Traditional Name: (3R)-1,1-diketo-N-(2-methyl-3-nitro-phenyl)thiolane-3-carboxamide Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C12H14N2O5S/c1-8-10(3-2-4-11(8)14(16)17)13-12(15)9-5-6-20(18,19)7-9/h2-4,9H,5-7H2,1H3,(H,13,15)/t9-/m0/s1