5-nitro-2-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-2-hydroxy-3-(2-thienylmethoxy)propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2S)-2-hydroxy-3-(2-thenyloxy)propyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)COCC(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)COC[C@H](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N2O6S/c19-11(8-24-9-12-2-1-5-25-12)7-17-15(20)13-4-3-10(18(22)23)6-14(13)16(17)21/h1-6,11,19H,7-9H2/t11-/m0/s1