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

Systemtic Name: 5-nitro-2-[(4-oxidanylidenepyridin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-oxo-1-pyridyl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(4-oxo-1-pyridinyl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-oxopyridin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-keto-1-pyridyl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C14H9N3O5 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CN3C=CC(=O)C=C3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CN3C=CC(=O)C=C3

InChI

InChI=1S/C14H9N3O5/c18-10-3-5-15(6-4-10)8-16-13(19)11-2-1-9(17(21)22)7-12(11)14(16)20/h1-7H,8H2