(2-methyl-3,5-dinitro-phenyl)-thiomorpholin-4-yl-methanone

Systemtic Name: (2-methyl-3,5-dinitro-phenyl)-thiomorpholin-4-yl-methanone Openeye Name: (2-methyl-3,5-dinitro-phenyl)-thiomorpholino-methanone CAS Name: (2-methyl-3,5-dinitrophenyl)-thiomorpholin-4-ylmethanone IUPAC Name: (2-methyl-3,5-dinitrophenyl)-thiomorpholin-4-ylmethanone Traditional Name: (2-methyl-3,5-dinitro-phenyl)-thiomorpholino-methanone Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCSCC2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCSCC2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-8-10(12(16)13-2-4-21-5-3-13)6-9(14(17)18)7-11(8)15(19)20/h6-7H,2-5H2,1H3