2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-pyrimidin-2-yl-acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-pyrimidin-2-ylacetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-pyrimidyl)acetamide Formula: C14H9N5O5 MolecularWeight: 327.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C14H9N5O5/c20-10(17-14-15-5-2-6-16-14)7-18-12(21)8-3-1-4-9(19(23)24)11(8)13(18)22/h1-6H,7H2,(H,15,16,17,20)