2-(2,4-dinitrophenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(2,4-dinitrophenyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(2,4-dinitrophenyl)thio]-1-pyrrolidino-ethanone Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c16-12(13-5-1-2-6-13)8-21-11-4-3-9(14(17)18)7-10(11)15(19)20/h3-4,7H,1-2,5-6,8H2