N,2,2-trimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromene-4-carbothioamide

Systemtic Name: N,2,2-trimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromene-4-carbothioamide Openeye Name: 3-hydroxy-N,2,2-trimethyl-6-nitro-chromane-4-carbothioamide CAS Name: 3-hydroxy-N,2,2-trimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-carbothioamide IUPAC Name: 3-hydroxy-N,2,2-trimethyl-6-nitro-3,4-dihydrochromene-4-carbothioamide Traditional Name: 3-hydroxy-N,2,2-trimethyl-6-nitro-chroman-4-carbothioamide Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)O)C

InChI

InChI=1S/C13H16N2O4S/c1-13(2)11(16)10(12(20)14-3)8-6-7(15(17)18)4-5-9(8)19-13/h4-6,10-11,16H,1-3H3,(H,14,20)