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

Systemtic Name: 5-nitro-2-[(2-oxidanylidenepyridin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(2-oxo-1-pyridyl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[(2-oxo-1-pyridinyl)methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(2-oxopyridin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-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=CC(=O)N(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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