5-nitro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[[2-(2-thienyl)oxazol-4-yl]methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(2-thiophen-2-yl-4-oxazolyl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[[2-(2-thienyl)oxazol-4-yl]methyl]isoindoline-1,3-quinone Formula: C16H9N3O5S MolecularWeight: 355.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=CO2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=CO2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O5S/c20-15-11-4-3-10(19(22)23)6-12(11)16(21)18(15)7-9-8-24-14(17-9)13-2-1-5-25-13/h1-6,8H,7H2