2-[2-[(3-nitro-4-oxidanyl-phenyl)methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(3-nitro-4-oxidanyl-phenyl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-hydroxy-3-nitro-phenyl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-hydroxy-3-nitrophenyl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-hydroxy-3-nitrophenyl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-hydroxy-3-nitro-benzyl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c20-15-6-5-11(9-14(15)19(23)24)10-25-8-7-18-16(21)12-3-1-2-4-13(12)17(18)22/h1-6,9,20H,7-8,10H2