2-[3-(2-nitropyrrol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(2-nitropyrrol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(2-nitropyrrol-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(2-nitro-1-pyrrolyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(2-nitropyrrol-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(2-nitropyrrol-1-yl)propyl]isoindoline-1,3-quinone Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CN3C=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CN3C=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C15H13N3O5/c19-10(8-16-7-3-6-13(16)18(22)23)9-17-14(20)11-4-1-2-5-12(11)15(17)21/h1-7,10,19H,8-9H2