5-nitro-N-(2-pyrimidin-2-yl-3H-isoindol-2-ium-1-yl)furan-2-carboxamide

Systemtic Name: 5-nitro-N-(2-pyrimidin-2-yl-3H-isoindol-2-ium-1-yl)furan-2-carboxamide Openeye Name: 5-nitro-N-(2-pyrimidin-2-yl-3H-isoindol-2-ium-1-yl)furan-2-carboxamide CAS Name: 5-nitro-N-[2-(2-pyrimidinyl)-3H-isoindol-2-ium-1-yl]-2-furancarboxamide IUPAC Name: 5-nitro-N-(2-pyrimidin-2-yl-3H-isoindol-2-ium-1-yl)furan-2-carboxamide Traditional Name: 5-nitro-N-[2-(2-pyrimidyl)-3H-isoindol-2-ium-1-yl]-2-furamide Formula: C17H12N5O4+ MolecularWeight: 350.30828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1C3=NC=CC=N3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1C3=NC=CC=N3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O4/c23-16(13-6-7-14(26-13)22(24)25)20-15-12-5-2-1-4-11(12)10-21(15)17-18-8-3-9-19-17/h1-9H,10H2/p+1