2-[2,4-bis(oxidanylidene)-1-phenyl-pyrimidin-5-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2,4-bis(oxidanylidene)-1-phenyl-pyrimidin-5-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2,4-dioxo-1-phenyl-pyrimidin-5-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2,4-dioxo-1-phenyl-5-pyrimidinyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2,4-dioxo-1-phenylpyrimidin-5-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2,4-diketo-1-phenyl-pyrimidin-5-yl)-4-nitro-isoindoline-1,3-quinone Formula: C18H10N4O6 MolecularWeight: 378.2952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=O)NC2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=O)NC2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O6/c23-15-13(9-20(18(26)19-15)10-5-2-1-3-6-10)21-16(24)11-7-4-8-12(22(27)28)14(11)17(21)25/h1-9H,(H,19,23,26)