2-[4-(5-nitro-2-oxidanylidene-pyridin-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-nitro-2-oxidanylidene-pyridin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-nitro-2-oxo-1-pyridyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(5-nitro-2-oxo-1-pyridinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-nitro-2-oxopyridin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-keto-5-nitro-1-pyridyl)butyl]isoindoline-1,3-quinone Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5/c21-15-8-7-12(20(24)25)11-18(15)9-3-4-10-19-16(22)13-5-1-2-6-14(13)17(19)23/h1-2,5-8,11H,3-4,9-10H2