methyl 3-[(2,4-dinitrophenyl)amino]sulfanylcarbonyloxirane-2-carboxylate

Systemtic Name: methyl 3-[(2,4-dinitrophenyl)amino]sulfanylcarbonyloxirane-2-carboxylate Openeye Name: methyl 3-(2,4-dinitroanilino)sulfanylcarbonyloxirane-2-carboxylate CAS Name: 3-[[(2,4-dinitroanilino)thio]-oxomethyl]-2-oxiranecarboxylic acid methyl ester IUPAC Name: methyl 3-(2,4-dinitroanilino)sulfanylcarbonyloxirane-2-carboxylate Traditional Name: 3-[(2,4-dinitroanilino)thio]carbonyloxirane-2-carboxylic acid methyl ester Formula: C11H9N3O8S MolecularWeight: 343.26946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(O1)C(=O)SNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C(O1)C(=O)SNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O8S/c1-21-10(15)8-9(22-8)11(16)23-12-6-3-2-5(13(17)18)4-7(6)14(19)20/h2-4,8-9,12H,1H3