N-[(2S,3R)-2,3-dimethyl-1,4-dithian-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2S,3R)-2,3-dimethyl-1,4-dithian-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(2S,3R)-2,3-dimethyl-1,4-dithian-2-yl]-3,5-dinitro-benzamide CAS Name: N-[(2S,3R)-2,3-dimethyl-1,4-dithian-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(2S,3R)-2,3-dimethyl-1,4-dithian-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(2S,3R)-2,3-dimethyl-1,4-dithian-2-yl]-3,5-dinitro-benzamide Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(SCCS1)(C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1[C@@](SCCS1)(C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S2/c1-8-13(2,23-4-3-22-8)14-12(17)9-5-10(15(18)19)7-11(6-9)16(20)21/h5-8H,3-4H2,1-2H3,(H,14,17)/t8-,13+/m1/s1